N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]-2-phenyl-ethanamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]-2-phenyl-ethanamide Openeye Name: N-[(1S)-2-methyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]propyl]-2-phenyl-acetamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]butan-2-yl]-2-phenylacetamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]-2-phenylacetamide Traditional Name: N-[(1S)-2-methyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]propyl]-2-phenyl-acetamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2/c1-18(2)22(25-21(28)16-19-6-4-3-5-7-19)23(29)27-14-12-26(13-15-27)17-20-8-10-24-11-9-20/h3-11,18,22H,12-17H2,1-2H3,(H,25,28)/p+1/t22-/m0/s1