N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-N-(1,1-dimethyl-3-oxo-butyl)propanamide CAS Name: N-(2-methyl-4-oxopentan-2-yl)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propanamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-N-(2-methyl-4-oxopentan-2-yl)propanamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-N-(3-keto-1,1-dimethyl-butyl)propionamide Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CCN1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CCN1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C20H31N3O2/c1-17(24)15-20(2,3)21-19(25)9-10-22-11-13-23(14-12-22)16-18-7-5-4-6-8-18/h4-8H,9-16H2,1-3H3,(H,21,25)/p+1