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

Systemtic Name: 1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]azepan-1-ium Openeye Name: 1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]azepan-1-ium CAS Name: 1-[[1-(2,4-dichlorophenyl)-2-pyrrolyl]methyl]azepan-1-ium IUPAC Name: 1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]azepan-1-ium Traditional Name: 1-[[1-(2,4-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=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

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