N-(4-chloranyl-3-methyl-phenyl)-4-[(4-ethanoyl-1,4-diazepan-1-ium-1-yl)methyl]benzamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-4-[(4-ethanoyl-1,4-diazepan-1-ium-1-yl)methyl]benzamide Openeye Name: 4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-N-(4-chloro-3-methyl-phenyl)benzamide CAS Name: 4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-N-(4-chloro-3-methylphenyl)benzamide IUPAC Name: 4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-N-(4-chloro-3-methylphenyl)benzamide Traditional Name: 4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-N-(4-chloro-3-methyl-phenyl)benzamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2/c1-16-14-20(8-9-21(16)23)24-22(28)19-6-4-18(5-7-19)15-25-10-3-11-26(13-12-25)17(2)27/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,28)/p+1