5-oxidanylidene-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide

Systemtic Name: 5-oxidanylidene-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Openeye Name: 5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide CAS Name: 5-oxo-N-[(1R)-1-phenylethyl]-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentanamide IUPAC Name: 5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Traditional Name: 5-keto-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazino)valeramide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c1-18(19-8-3-2-4-9-19)24-21(27)11-7-12-22(28)26-16-14-25(15-17-26)20-10-5-6-13-23-20/h2-6,8-10,13,18H,7,11-12,14-17H2,1H3,(H,24,27)/p+1/t18-/m1/s1