1-(diphenylmethyl)-4-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(diphenylmethyl)-4-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperazin-4-ium Openeye Name: 1-benzhydryl-4-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(diphenylmethyl)-4-[[1-(2-methoxyphenyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-benzhydryl-4-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-benzhydryl-4-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C29H32N3O+ MolecularWeight: 438.58388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=CC=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2C=CC=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O/c1-33-28-17-9-8-16-27(28)32-18-10-15-26(32)23-30-19-21-31(22-20-30)29(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-18,29H,19-23H2,1H3/p+1