4-oxidanylidene-N-[(2R)-4-phenylbutan-2-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide

Systemtic Name: 4-oxidanylidene-N-[(2R)-4-phenylbutan-2-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: 4-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: 4-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: 4-keto-N-[(1R)-1-methyl-3-phenyl-propyl]-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C23H30N4O2/c1-19(10-11-20-7-3-2-4-8-20)25-22(28)12-13-23(29)27-17-15-26(16-18-27)21-9-5-6-14-24-21/h2-9,14,19H,10-13,15-18H2,1H3,(H,25,28)/p+1/t19-/m1/s1