(3S)-3-methyl-5-oxidanylidene-N-(4-propan-2-ylphenyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide

Systemtic Name: (3S)-3-methyl-5-oxidanylidene-N-(4-propan-2-ylphenyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Openeye Name: (3S)-N-(4-isopropylphenyl)-3-methyl-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide CAS Name: (3S)-3-methyl-5-oxo-N-(4-propan-2-ylphenyl)-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentanamide IUPAC Name: (3S)-3-methyl-5-oxo-N-(4-propan-2-ylphenyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Traditional Name: (3S)-5-keto-3-methyl-N-p-cumenyl-5-(4-pyridin-1-ium-2-ylpiperazino)valeramide Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CC(=O)NC1=CC=C(C=C1)C(C)C)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C24H32N4O2/c1-18(2)20-7-9-21(10-8-20)26-23(29)16-19(3)17-24(30)28-14-12-27(13-15-28)22-6-4-5-11-25-22/h4-11,18-19H,12-17H2,1-3H3,(H,26,29)/p+1/t19-/m0/s1