1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3,3-diphenyl-propan-1-one

Systemtic Name: 1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3,3-diphenyl-propan-1-one Openeye Name: 1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3,3-diphenyl-propan-1-one CAS Name: 1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3,3-diphenyl-1-propanone IUPAC Name: 1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3,3-diphenylpropan-1-one Traditional Name: 1-(4-p-anisylpiperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one Formula: C27H31N2O2+ MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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