[2-[(diethylazaniumyl)methyl]-3-ethoxycarbonyl-5-oxidanyl-1-phenyl-indol-4-yl]methyl-dimethyl-azanium

Systemtic Name: [2-[(diethylazaniumyl)methyl]-3-ethoxycarbonyl-5-oxidanyl-1-phenyl-indol-4-yl]methyl-dimethyl-azanium Openeye Name: [2-[(diethylammonio)methyl]-3-ethoxycarbonyl-5-hydroxy-1-phenyl-indol-4-yl]methyl-dimethyl-ammonium CAS Name: [2-[(diethylammonio)methyl]-3-ethoxycarbonyl-5-hydroxy-1-phenyl-4-indolyl]methyl-dimethylammonium IUPAC Name: [2-[(diethylazaniumyl)methyl]-3-ethoxycarbonyl-5-hydroxy-1-phenylindol-4-yl]methyl-dimethylazanium Traditional Name: [3-carbethoxy-2-[(diethylammonio)methyl]-5-hydroxy-1-phenyl-indol-4-yl]methyl-dimethyl-ammonium Formula: C25H35N3O3+2 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2C[NH+](C)C)O)C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2C[NH+](C)C)O)C(=O)OCC

InChI

InChI=1S/C25H33N3O3/c1-6-27(7-2)17-21-24(25(30)31-8-3)23-19(16-26(4)5)22(29)15-14-20(23)28(21)18-12-10-9-11-13-18/h9-15,29H,6-8,16-17H2,1-5H3/p+2