3-[(3-methylphenyl)methoxy]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 3-[(3-methylphenyl)methoxy]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(m-tolylmethoxy)benzamide CAS Name: 3-[(3-methylphenyl)methoxy]-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 3-[(3-methylphenyl)methoxy]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 3-(3-methylbenzyl)oxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C26H29N3O2/c1-20-5-3-6-21(17-20)19-31-25-8-4-7-22(18-25)26(30)27-23-9-11-24(12-10-23)29-15-13-28(2)14-16-29/h3-12,17-18H,13-16,19H2,1-2H3,(H,27,30)/p+1