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

Systemtic Name: 4-oxidanylidene-N-[(1R)-1-phenylethyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: 4-oxo-N-[(1R)-1-phenylethyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: 4-oxo-N-[(1R)-1-phenylethyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: 4-oxo-N-[(1R)-1-phenylethyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: 4-keto-N-[(1R)-1-phenylethyl]-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-17(18-7-3-2-4-8-18)23-20(26)10-11-21(27)25-15-13-24(14-16-25)19-9-5-6-12-22-19/h2-9,12,17H,10-11,13-16H2,1H3,(H,23,26)/p+1/t17-/m1/s1