(4-chlorophenyl)-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-chlorophenyl)-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-chlorophenyl)-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (4-chlorophenyl)-[(3S)-1-(1H-indol-2-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chlorophenyl)-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-chlorophenyl)-[(3S)-1-(1H-indol-2-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=CC3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O/c22-18-9-7-15(8-10-18)21(25)17-5-3-11-24(13-17)14-19-12-16-4-1-2-6-20(16)23-19/h1-2,4,6-10,12,17,23H,3,5,11,13-14H2/p+1/t17-/m0/s1