1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(4-methoxyphenyl)propan-1-one

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(4-methoxyphenyl)propan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-methoxyphenyl)propan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-(4-methoxyphenyl)-1-propanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-methoxyphenyl)propan-1-one Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-methoxyphenyl)propan-1-one Formula: C27H31N2O2+ MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c1-31-25-15-12-22(13-16-25)14-17-26(30)28-18-20-29(21-19-28)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,15-16,27H,14,17-21H2,1H3/p+1