N-(5-azanyl-2-methyl-phenyl)-4-(3-oxidanylidenepiperazin-1-ium-1-yl)butanamide

Systemtic Name: N-(5-azanyl-2-methyl-phenyl)-4-(3-oxidanylidenepiperazin-1-ium-1-yl)butanamide Openeye Name: N-(5-amino-2-methyl-phenyl)-4-(3-oxopiperazin-1-ium-1-yl)butanamide CAS Name: N-(5-amino-2-methylphenyl)-4-(3-oxo-1-piperazin-1-iumyl)butanamide IUPAC Name: N-(5-amino-2-methylphenyl)-4-(3-oxopiperazin-1-ium-1-yl)butanamide Traditional Name: N-(5-amino-2-methyl-phenyl)-4-(3-ketopiperazin-1-ium-1-yl)butyramide Formula: C15H23N4O2+ MolecularWeight: 291.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NC(=O)CCC[NH+]2CCNC(=O)C2

Isomeric SMILES

CC1=C(C=C(C=C1)N)NC(=O)CCC[NH+]2CCNC(=O)C2

InChI

InChI=1S/C15H22N4O2/c1-11-4-5-12(16)9-13(11)18-14(20)3-2-7-19-8-6-17-15(21)10-19/h4-5,9H,2-3,6-8,10,16H2,1H3,(H,17,21)(H,18,20)/p+1