N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-indan-5-yl-acetamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-indan-5-yl-acetamide Formula: C28H32N3O+ MolecularWeight: 426.57318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O/c32-27(29-26-15-14-22-12-7-13-25(22)20-26)21-30-16-18-31(19-17-30)28(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,14-15,20,28H,7,12-13,16-19,21H2,(H,29,32)/p+1