(2S)-N-(3-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-chlorophenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-chlorophenyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(3-chlorophenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C18H22ClN4O+ MolecularWeight: 345.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Cl)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C18H21ClN4O/c1-14(18(24)21-16-6-4-5-15(19)13-16)22-9-11-23(12-10-22)17-7-2-3-8-20-17/h2-8,13-14H,9-12H2,1H3,(H,21,24)/p+1/t14-/m0/s1