2-(3,4-dimethylphenyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(3,4-dimethylphenyl)acetamide CAS Name: 2-(3,4-dimethylphenyl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(3,4-dimethylphenyl)acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(3,4-dimethylphenyl)acetamide Formula: C27H32N3O+ MolecularWeight: 414.56248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O/c1-21-8-9-24(18-22(21)2)19-27(31)28-25-10-12-26(13-11-25)30-16-14-29(15-17-30)20-23-6-4-3-5-7-23/h3-13,18H,14-17,19-20H2,1-2H3,(H,28,31)/p+1