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

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-4-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-N-(4-chloro-3-methyl-phenyl)benzamide CAS Name: 4-[(4-acetyl-1-piperazin-1-iumyl)methyl]-N-(4-chloro-3-methylphenyl)benzamide IUPAC Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-N-(4-chloro-3-methylphenyl)benzamide Traditional Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-N-(4-chloro-3-methyl-phenyl)benzamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C(=O)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C(=O)C)Cl

InChI

InChI=1S/C21H24ClN3O2/c1-15-13-19(7-8-20(15)22)23-21(27)18-5-3-17(4-6-18)14-24-9-11-25(12-10-24)16(2)26/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)/p+1