(2S)-N-[(phenylmethyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[(phenylmethyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(benzylcarbamoyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[oxo-[(phenylmethyl)amino]methyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(benzylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(benzylcarbamoyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C20H25N5O2/c1-16(19(26)23-20(27)22-15-17-7-3-2-4-8-17)24-11-13-25(14-12-24)18-9-5-6-10-21-18/h2-10,16H,11-15H2,1H3,(H2,22,23,26,27)/p+1/t16-/m0/s1