N-(4-chloranyl-3-methyl-phenyl)-4-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]benzamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-4-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]benzamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-4-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]benzamide CAS Name: N-(4-chloro-3-methylphenyl)-4-[[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]benzamide IUPAC Name: N-(4-chloro-3-methylphenyl)-4-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]benzamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-4-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]benzamide Formula: C25H28ClN4O+ MolecularWeight: 435.96902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CC[NH+](CC3)CC4=CC=CC=N4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CC[NH+](CC3)CC4=CC=CC=N4)Cl

InChI

InChI=1S/C25H27ClN4O/c1-19-16-22(9-10-24(19)26)28-25(31)21-7-5-20(6-8-21)17-29-12-14-30(15-13-29)18-23-4-2-3-11-27-23/h2-11,16H,12-15,17-18H2,1H3,(H,28,31)/p+1