ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-1-phenyl-piperidin-1-ium-4-carboxylate hydrochloride

Systemtic Name: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-1-phenyl-piperidin-1-ium-4-carboxylate hydrochloride Openeye Name: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-1-phenyl-piperidin-1-ium-4-carboxylate hydrochloride CAS Name: 1-[(5-nitro-1H-indol-3-yl)methyl]-1-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-1-phenylpiperidin-1-ium-4-carboxylate hydrochloride Traditional Name: 1-[(5-nitro-1H-indol-3-yl)methyl]-1-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester hydrochloride Formula: C23H27ClN3O4+ MolecularWeight: 444.93118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[N+](CC1)(CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.Cl

Isomeric SMILES

CCOC(=O)C1CC[N+](CC1)(CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.Cl

InChI

InChI=1S/C23H26N3O4.ClH/c1-2-30-23(27)17-10-12-26(13-11-17,20-6-4-3-5-7-20)16-18-15-24-22-9-8-19(25(28)29)14-21(18)22;/h3-9,14-15,17,24H,2,10-13,16H2,1H3;1H/q+1;