2-[2-[1-(1H-indol-3-yl)-4-(3-methylbutyl)piperidin-1-ium-1-yl]ethoxy]benzoic acid

Systemtic Name: 2-[2-[1-(1H-indol-3-yl)-4-(3-methylbutyl)piperidin-1-ium-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[1-(1H-indol-3-yl)-4-isopentyl-piperidin-1-ium-1-yl]ethoxy]benzoic acid CAS Name: 2-[2-[1-(1H-indol-3-yl)-4-(3-methylbutyl)-1-piperidin-1-iumyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[1-(1H-indol-3-yl)-4-(3-methylbutyl)piperidin-1-ium-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[1-(1H-indol-3-yl)-4-isoamyl-piperidin-1-ium-1-yl]ethoxy]benzoic acid Formula: C27H35N2O3+ MolecularWeight: 435.5784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1CC[N+](CC1)(CCOC2=CC=CC=C2C(=O)O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC(C)CCC1CC[N+](CC1)(CCOC2=CC=CC=C2C(=O)O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C27H34N2O3/c1-20(2)11-12-21-13-15-29(16-14-21,25-19-28-24-9-5-3-7-22(24)25)17-18-32-26-10-6-4-8-23(26)27(30)31/h3-10,19-21,28H,11-18H2,1-2H3/p+1