N-(4-chloranyl-3-methyl-phenyl)-4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]benzamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-4-[(3-oxopiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-(4-chloro-3-methylphenyl)-4-[(3-oxo-1-piperazin-1-iumyl)methyl]benzamide IUPAC Name: N-(4-chloro-3-methylphenyl)-4-[(3-oxopiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-4-[(3-ketopiperazin-1-ium-1-yl)methyl]benzamide Formula: C19H21ClN3O2+ MolecularWeight: 358.84194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCNC(=O)C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCNC(=O)C3)Cl

InChI

InChI=1S/C19H20ClN3O2/c1-13-10-16(6-7-17(13)20)22-19(25)15-4-2-14(3-5-15)11-23-9-8-21-18(24)12-23/h2-7,10H,8-9,11-12H2,1H3,(H,21,24)(H,22,25)/p+1