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

Systemtic Name: 1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]-4-(diphenylmethyl)piperazin-1-ium Openeye Name: 1-benzhydryl-4-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-[[1-(2,4-dichlorophenyl)-2-pyrrolyl]methyl]-4-(diphenylmethyl)piperazin-1-ium IUPAC Name: 1-benzhydryl-4-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-benzhydryl-4-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C28H28Cl2N3+ MolecularWeight: 477.44802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=C(C=C(C=C3)Cl)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=C(C=C(C=C3)Cl)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27Cl2N3/c29-24-13-14-27(26(30)20-24)33-15-7-12-25(33)21-31-16-18-32(19-17-31)28(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-15,20,28H,16-19,21H2/p+1