(4-phenylphenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-phenylphenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-phenylphenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-phenylphenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-phenylphenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-phenylphenyl)-[4-(2,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C27H31N2O4+ MolecularWeight: 447.54604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H30N2O4/c1-31-24-18-26(33-3)25(32-2)17-23(24)19-28-13-15-29(16-14-28)27(30)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-12,17-18H,13-16,19H2,1-3H3/p+1