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

Systemtic Name: (2S)-N-[(2-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[(2-chlorophenyl)methyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[(2-chlorophenyl)methyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-[(2-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-chlorobenzyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C19H24ClN4O+ MolecularWeight: 359.87306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1Cl)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C19H23ClN4O/c1-15(19(25)22-14-16-6-2-3-7-17(16)20)23-10-12-24(13-11-23)18-8-4-5-9-21-18/h2-9,15H,10-14H2,1H3,(H,22,25)/p+1/t15-/m0/s1