N-[(1S)-1-(4-methylphenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1S)-1-(4-methylphenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-(p-tolyl)propyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-1-(4-methylphenyl)propyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-(4-methylphenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-(p-tolyl)propyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C22H30N4O/c1-3-21(19-9-7-18(2)8-10-19)24-22(27)17-26-14-12-25(13-15-26)16-20-6-4-5-11-23-20/h4-11,21H,3,12-17H2,1-2H3,(H,24,27)/p+1/t21-/m0/s1