[4-(diphenylmethyl)piperazin-4-ium-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[(1R,2R)-2-phenylcyclopropyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone Formula: C27H29N2O+ MolecularWeight: 397.53196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4CC4C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[C@@H]4C[C@H]4C5=CC=CC=C5

InChI

InChI=1S/C27H28N2O/c30-27(25-20-24(25)21-10-4-1-5-11-21)29-18-16-28(17-19-29)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-26H,16-20H2/p+1/t24-,25+/m0/s1