1-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]azepan-1-ium

Systemtic Name: 1-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]azepan-1-ium Openeye Name: 1-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]azepan-1-ium CAS Name: 1-[[1-(2-chloro-3-pyridinyl)-2-pyrrolyl]methyl]azepan-1-ium IUPAC Name: 1-[[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methyl]azepan-1-ium Traditional Name: 1-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]azepan-1-ium Formula: C16H21ClN3+ MolecularWeight: 290.81104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3/c17-16-15(8-5-9-18-16)20-12-6-7-14(20)13-19-10-3-1-2-4-11-19/h5-9,12H,1-4,10-11,13H2/p+1