1-[[1-[2,3-bis(chloranyl)phenyl]pyrrol-2-yl]methyl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[[1-[2,3-bis(chloranyl)phenyl]pyrrol-2-yl]methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[[1-(2,3-dichlorophenyl)pyrrol-2-yl]methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[[1-(2,3-dichlorophenyl)-2-pyrrolyl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[[1-(2,3-dichlorophenyl)pyrrol-2-yl]methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[[1-(2,3-dichlorophenyl)pyrrol-2-yl]methyl]-4-phenyl-piperazin-1-ium Formula: C21H22Cl2N3+ MolecularWeight: 387.32548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3/c22-19-9-4-10-20(21(19)23)26-11-5-8-18(26)16-24-12-14-25(15-13-24)17-6-2-1-3-7-17/h1-11H,12-16H2/p+1