1-methyl-1-(2-methylpropyl)-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)-2-oxidanyl-propoxy]indol-1-ium-2-carboxylate

Systemtic Name: 1-methyl-1-(2-methylpropyl)-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)-2-oxidanyl-propoxy]indol-1-ium-2-carboxylate Openeye Name: 4-[2-hydroxy-3-[4-(2-naphthyl)-1-piperidyl]propoxy]-1-isobutyl-1-methyl-indol-1-ium-2-carboxylate CAS Name: 4-[2-hydroxy-3-[4-(2-naphthalenyl)-1-piperidinyl]propoxy]-1-methyl-1-(2-methylpropyl)-2-indol-1-iumcarboxylate IUPAC Name: 4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-methyl-1-(2-methylpropyl)indol-1-ium-2-carboxylate Traditional Name: 4-[2-hydroxy-3-[4-(2-naphthyl)piperidino]propoxy]-1-isobutyl-1-methyl-indol-1-ium-2-carboxylate Formula: C32H38N2O4 MolecularWeight: 514.65512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1(C2=C(C=C1C(=O)[O-])C(=CC=C2)OCC(CN3CCC(CC3)C4=CC5=CC=CC=C5C=C4)O)C

Isomeric SMILES

CC(C)C[N+]1(C2=C(C=C1C(=O)[O-])C(=CC=C2)OCC(CN3CCC(CC3)C4=CC5=CC=CC=C5C=C4)O)C

InChI

InChI=1S/C32H38N2O4/c1-22(2)20-34(3)29-9-6-10-31(28(29)18-30(34)32(36)37)38-21-27(35)19-33-15-13-24(14-16-33)26-12-11-23-7-4-5-8-25(23)17-26/h4-12,17-18,22,24,27,35H,13-16,19-21H2,1-3H3