N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-pyridin-2-yl-propanamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-pyridin-2-yl-propanamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-(2-pyridyl)propanamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-3-(2-pyridinyl)propanamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-pyridin-2-ylpropanamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-3-(2-pyridyl)propionamide Formula: C20H25ClN3O+ MolecularWeight: 358.885

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)CCC3=CC=CC=N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)CCC3=CC=CC=N3

InChI

InChI=1S/C20H24ClN3O/c21-17-8-6-16(7-9-17)14-24-13-3-5-19(15-24)23-20(25)11-10-18-4-1-2-12-22-18/h1-2,4,6-9,12,19H,3,5,10-11,13-15H2,(H,23,25)/p+1/t19-/m0/s1