4-oxidanylidene-4-piperazin-4-ium-1-yl-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 4-oxidanylidene-4-piperazin-4-ium-1-yl-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 4-oxo-4-piperazin-4-ium-1-yl-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 4-oxo-4-(1-piperazin-4-iumyl)-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 4-oxo-4-piperazin-4-ium-1-yl-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: 4-keto-N-mesityl-4-piperazin-4-ium-1-yl-butyramide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2/c1-12-10-13(2)17(14(3)11-12)19-15(21)4-5-16(22)20-8-6-18-7-9-20/h10-11,18H,4-9H2,1-3H3,(H,19,21)/p+1