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

Systemtic Name: N-(3-azanyl-2-methyl-phenyl)-4-(3-oxidanylidenepiperazin-1-ium-1-yl)butanamide Openeye Name: N-(3-amino-2-methyl-phenyl)-4-(3-oxopiperazin-1-ium-1-yl)butanamide CAS Name: N-(3-amino-2-methylphenyl)-4-(3-oxo-1-piperazin-1-iumyl)butanamide IUPAC Name: N-(3-amino-2-methylphenyl)-4-(3-oxopiperazin-1-ium-1-yl)butanamide Traditional Name: N-(3-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=CC=C1NC(=O)CCC[NH+]2CCNC(=O)C2)N

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCC[NH+]2CCNC(=O)C2)N

InChI

InChI=1S/C15H22N4O2/c1-11-12(16)4-2-5-13(11)18-14(20)6-3-8-19-9-7-17-15(21)10-19/h2,4-5H,3,6-10,16H2,1H3,(H,17,21)(H,18,20)/p+1