2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-mesityl-acetamide Formula: C28H34N3O+ MolecularWeight: 428.58906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H33N3O/c1-21-18-22(2)27(23(3)19-21)29-26(32)20-30-14-16-31(17-15-30)28(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-13,18-19,28H,14-17,20H2,1-3H3,(H,29,32)/p+1