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

Systemtic Name: 1-[[1-[2,3-bis(chloranyl)phenyl]pyrrol-2-yl]methyl]azepan-1-ium Openeye Name: 1-[[1-(2,3-dichlorophenyl)pyrrol-2-yl]methyl]azepan-1-ium CAS Name: 1-[[1-(2,3-dichlorophenyl)-2-pyrrolyl]methyl]azepan-1-ium IUPAC Name: 1-[[1-(2,3-dichlorophenyl)pyrrol-2-yl]methyl]azepan-1-ium Traditional Name: 1-[[1-(2,3-dichlorophenyl)pyrrol-2-yl]methyl]azepan-1-ium Formula: C17H21Cl2N2+ MolecularWeight: 324.26804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=CN2C3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=CN2C3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C17H20Cl2N2/c18-15-8-5-9-16(17(15)19)21-12-6-7-14(21)13-20-10-3-1-2-4-11-20/h5-9,12H,1-4,10-11,13H2/p+1