2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(3-methylphenyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: N-benzyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C26H29N3O2/c1-21-8-7-11-23(18-21)29(19-22-9-3-2-4-10-22)26(31)20-27-14-16-28(17-15-27)24-12-5-6-13-25(24)30/h2-13,18,30H,14-17,19-20H2,1H3/p+1