[1-[(dimethylazaniumyl)methyl]-6-ethoxycarbonyl-2-(4-nitrophenyl)indolizin-3-yl]methyl-dimethyl-azanium

Systemtic Name: [1-[(dimethylazaniumyl)methyl]-6-ethoxycarbonyl-2-(4-nitrophenyl)indolizin-3-yl]methyl-dimethyl-azanium Openeye Name: [1-[(dimethylammonio)methyl]-6-ethoxycarbonyl-2-(4-nitrophenyl)indolizin-3-yl]methyl-dimethyl-ammonium CAS Name: [1-[(dimethylammonio)methyl]-6-ethoxycarbonyl-2-(4-nitrophenyl)-3-indolizinyl]methyl-dimethylammonium IUPAC Name: [1-[(dimethylazaniumyl)methyl]-6-ethoxycarbonyl-2-(4-nitrophenyl)indolizin-3-yl]methyl-dimethylazanium Traditional Name: [6-carbethoxy-1-[(dimethylammonio)methyl]-2-(4-nitrophenyl)indolizin-3-yl]methyl-dimethyl-ammonium Formula: C23H30N4O4+2 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C(C(=C2C[NH+](C)C)C3=CC=C(C=C3)[N+](=O)[O-])C[NH+](C)C)C=C1

Isomeric SMILES

CCOC(=O)C1=CN2C(=C(C(=C2C[NH+](C)C)C3=CC=C(C=C3)[N+](=O)[O-])C[NH+](C)C)C=C1

InChI

InChI=1S/C23H28N4O4/c1-6-31-23(28)17-9-12-20-19(14-24(2)3)22(21(15-25(4)5)26(20)13-17)16-7-10-18(11-8-16)27(29)30/h7-13H,6,14-15H2,1-5H3/p+2