(2S)-N-methyl-N-(phenylmethyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-methyl-N-(phenylmethyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-benzyl-N-methyl-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-methyl-N-(phenylmethyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-benzyl-N-methyl-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)N(C)CC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C20H26N4O/c1-17(20(25)22(2)16-18-8-4-3-5-9-18)23-12-14-24(15-13-23)19-10-6-7-11-21-19/h3-11,17H,12-16H2,1-2H3/p+1/t17-/m0/s1