2-(2-methoxy-5-methyl-phenyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(2-methoxy-5-methyl-phenyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-(2-methoxy-5-methylphenyl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(2-methoxy-5-methylphenyl)acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(2-methoxy-5-methyl-phenyl)acetamide Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O2/c1-21-8-13-26(32-2)23(18-21)19-27(31)28-24-9-11-25(12-10-24)30-16-14-29(15-17-30)20-22-6-4-3-5-7-22/h3-13,18H,14-17,19-20H2,1-2H3,(H,28,31)/p+1