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

Systemtic Name: 1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-[[1-(2,4-dichlorophenyl)-2-pyrrolyl]methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C22H24Cl2N3+ MolecularWeight: 401.35206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=C(C=C(C=C3)Cl)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=C(C=C(C=C3)Cl)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H23Cl2N3/c23-19-8-9-22(21(24)15-19)27-10-4-7-20(27)17-26-13-11-25(12-14-26)16-18-5-2-1-3-6-18/h1-10,15H,11-14,16-17H2/p+1