(4-chlorophenyl)-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-chlorophenyl)-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-chlorophenyl)-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (4-chlorophenyl)-[(3S)-1-(1H-indol-3-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chlorophenyl)-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-chlorophenyl)-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C21H22ClN2O+ MolecularWeight: 353.86518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CNC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CNC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O/c22-18-9-7-15(8-10-18)21(25)16-4-3-11-24(13-16)14-17-12-23-20-6-2-1-5-19(17)20/h1-2,5-10,12,16,23H,3-4,11,13-14H2/p+1/t16-/m0/s1