2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(2-ethylphenyl)acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(2-ethylphenyl)acetamide Formula: C27H32N3O+ MolecularWeight: 414.56248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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