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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(3,4-dimethoxyphenyl)propan-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(3,4-dimethoxyphenyl)propan-1-one Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(3,4-dimethoxyphenyl)propan-1-one Formula: C28H33N2O3+ MolecularWeight: 445.57322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O3/c1-32-25-15-13-22(21-26(25)33-2)14-16-27(31)29-17-19-30(20-18-29)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-13,15,21,28H,14,16-20H2,1-2H3/p+1