N-[(1R)-3-oxidanylidene-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]ethanamide

Systemtic Name: N-[(1R)-3-oxidanylidene-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]ethanamide Openeye Name: N-[(1R)-3-oxo-1-phenyl-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]acetamide CAS Name: N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propyl]acetamide IUPAC Name: N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]acetamide Traditional Name: N-[(1R)-3-keto-1-phenyl-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]acetamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-17(26)23-20(19-5-3-2-4-6-19)15-21(27)25-13-11-24(12-14-25)16-18-7-9-22-10-8-18/h2-10,20H,11-16H2,1H3,(H,23,26)/p+1/t20-/m1/s1