[8,12-bis(2-carboxyethyl)-3,7,13,18-tetramethyl-17-[(trimethylazaniumyl)methyl]-22,23-dihydroporphyrin-2-yl]methyl-trimethyl-azanium dichloride

Systemtic Name: [8,12-bis(2-carboxyethyl)-3,7,13,18-tetramethyl-17-[(trimethylazaniumyl)methyl]-22,23-dihydroporphyrin-2-yl]methyl-trimethyl-azanium dichloride Openeye Name: [8,12-bis(2-carboxyethyl)-3,7,13,18-tetramethyl-17-[(trimethylammonio)methyl]-22,23-dihydroporphyrin-2-yl]methyl-trimethyl-ammonium dichloride CAS Name: [8,12-bis(2-carboxyethyl)-3,7,13,18-tetramethyl-17-[(trimethylammonio)methyl]-22,23-dihydroporphyrin-2-yl]methyl-trimethylammonium dichloride IUPAC Name: [8,12-bis(2-carboxyethyl)-3,7,13,18-tetramethyl-17-[(trimethylazaniumyl)methyl]-22,23-dihydroporphyrin-2-yl]methyl-trimethylazanium dichloride Traditional Name: [8,12-bis(2-carboxyethyl)-3,7,13,18-tetramethyl-17-[(trimethylammonio)methyl]-22,23-dihydroporphin-2-yl]methyl-trimethyl-ammonium dichloride Formula: C38H50Cl2N6O4 MolecularWeight: 725.7474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)C[N+](C)(C)C)C)C[N+](C)(C)C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)C[N+](C)(C)C)C)C[N+](C)(C)C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Cl-]

InChI

InChI=1S/C38H48N6O4.2ClH/c1-21-25(11-13-37(45)46)33-18-34-26(12-14-38(47)48)22(2)31(40-34)16-35-28(20-44(8,9)10)24(4)32(42-35)17-36-27(19-43(5,6)7)23(3)30(41-36)15-29(21)39-33;;/h15-18H,11-14,19-20H2,1-10H3,(H2-2,39,40,41,42,45,46,47,48);2*1H