N-(2,5-dimethylphenyl)-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide Openeye Name: N-(2,5-dimethylphenyl)-4-oxo-4-piperazin-4-ium-1-yl-butanamide CAS Name: N-(2,5-dimethylphenyl)-4-oxo-4-(1-piperazin-4-iumyl)butanamide IUPAC Name: N-(2,5-dimethylphenyl)-4-oxo-4-piperazin-4-ium-1-ylbutanamide Traditional Name: N-(2,5-dimethylphenyl)-4-keto-4-piperazin-4-ium-1-yl-butyramide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C16H23N3O2/c1-12-3-4-13(2)14(11-12)18-15(20)5-6-16(21)19-9-7-17-8-10-19/h3-4,11,17H,5-10H2,1-2H3,(H,18,20)/p+1