1-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 1-(4-m-anisylpiperazin-4-ium-1-yl)-2,2-diphenyl-ethanone Formula: C26H29N2O2+ MolecularWeight: 401.52066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2/c1-30-24-14-8-9-21(19-24)20-27-15-17-28(18-16-27)26(29)25(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,19,25H,15-18,20H2,1H3/p+1