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

Systemtic Name: N-(5-azanyl-2-methyl-phenyl)-3-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: N-(5-amino-2-methyl-phenyl)-3-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: N-(5-amino-2-methylphenyl)-3-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(5-amino-2-methylphenyl)-3-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: N-(5-amino-2-methyl-phenyl)-3-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C14H21N4O2+ MolecularWeight: 277.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2/c1-10-2-3-11(15)8-12(10)17-13(19)4-6-18-7-5-16-14(20)9-18/h2-3,8H,4-7,9,15H2,1H3,(H,16,20)(H,17,19)/p+1