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

Systemtic Name: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-1-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-1-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-nitro-1H-indol-3-yl)methyl]-1-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-1-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-nitro-1H-indol-3-yl)methyl]-1-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H26N3O4+ MolecularWeight: 408.47024

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N3O4/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/q+1