(3-ethoxycarbonyl-5-methoxy-2-methyl-4-oxidanyl-1-phenyl-indol-7-yl)methyl-dimethyl-azanium

Systemtic Name: (3-ethoxycarbonyl-5-methoxy-2-methyl-4-oxidanyl-1-phenyl-indol-7-yl)methyl-dimethyl-azanium Openeye Name: (3-ethoxycarbonyl-4-hydroxy-5-methoxy-2-methyl-1-phenyl-indol-7-yl)methyl-dimethyl-ammonium CAS Name: (3-ethoxycarbonyl-4-hydroxy-5-methoxy-2-methyl-1-phenyl-7-indolyl)methyl-dimethylammonium IUPAC Name: (3-ethoxycarbonyl-4-hydroxy-5-methoxy-2-methyl-1-phenylindol-7-yl)methyl-dimethylazanium Traditional Name: (3-carbethoxy-4-hydroxy-5-methoxy-2-methyl-1-phenyl-indol-7-yl)methyl-dimethyl-ammonium Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2C[NH+](C)C)OC)O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2C[NH+](C)C)OC)O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H26N2O4/c1-6-28-22(26)18-14(2)24(16-10-8-7-9-11-16)20-15(13-23(3)4)12-17(27-5)21(25)19(18)20/h7-12,25H,6,13H2,1-5H3/p+1