N-[(4-methylphenyl)methyl]-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide Openeye Name: 4-oxo-4-piperazin-4-ium-1-yl-N-(p-tolylmethyl)butanamide CAS Name: N-[(4-methylphenyl)methyl]-4-oxo-4-(1-piperazin-4-iumyl)butanamide IUPAC Name: N-[(4-methylphenyl)methyl]-4-oxo-4-piperazin-4-ium-1-ylbutanamide Traditional Name: 4-keto-N-(4-methylbenzyl)-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)CNC(=O)CCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-13-2-4-14(5-3-13)12-18-15(20)6-7-16(21)19-10-8-17-9-11-19/h2-5,17H,6-12H2,1H3,(H,18,20)/p+1