N-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-oxo-4-piperazin-4-ium-1-yl-butanamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-oxo-4-(1-piperazin-4-iumyl)butanamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-oxo-4-piperazin-4-ium-1-ylbutanamide Traditional Name: 4-keto-N-(2-methoxy-5-methyl-phenyl)-4-piperazin-4-ium-1-yl-butyramide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-12-3-4-14(22-2)13(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