3-methoxy-4-methyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide

Systemtic Name: 3-methoxy-4-methyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-methoxy-4-methyl-benzamide CAS Name: 3-methoxy-4-methyl-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-methoxy-4-methylbenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-methoxy-4-methyl-benzamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

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