(2S)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-phenyl-pentanamide

Systemtic Name: (2S)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-phenyl-pentanamide Openeye Name: (2S)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-phenyl-pentanamide CAS Name: (2S)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-2-phenylpentanamide IUPAC Name: (2S)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-phenylpentanamide Traditional Name: (2S)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-phenyl-valeramide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)C(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)C(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H28N4O/c1-3-7-19(17-8-5-4-6-9-17)21(26)23-18-10-11-20(22-16-18)25-14-12-24(2)13-15-25/h4-6,8-11,16,19H,3,7,12-15H2,1-2H3,(H,23,26)/p+1/t19-/m0/s1