1-(diphenylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(diphenylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-benzhydryl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(diphenylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-benzhydryl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-benzhydryl-4-(3,4,5-trimethoxybenzyl)piperazin-4-ium Formula: C27H33N2O3+ MolecularWeight: 433.56252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N2O3/c1-30-24-18-21(19-25(31-2)27(24)32-3)20-28-14-16-29(17-15-28)26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,18-19,26H,14-17,20H2,1-3H3/p+1