1-(4-chloranyl-6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)azepane hydrochloride

Systemtic Name: 1-(4-chloranyl-6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)azepane hydrochloride Openeye Name: 1-(4-chloro-6-methyl-1-oxido-pyridin-1-ium-2-yl)azepane hydrochloride CAS Name: 1-(4-chloro-6-methyl-1-oxido-2-pyridin-1-iumyl)azepane hydrochloride IUPAC Name: 1-(4-chloro-6-methyl-1-oxidopyridin-1-ium-2-yl)azepane hydrochloride Traditional Name: 1-(4-chloro-6-methyl-1-oxido-pyridin-1-ium-2-yl)azepane hydrochloride Formula: C12H18Cl2N2O MolecularWeight: 277.19012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC(=C1)Cl)N2CCCCCC2)[O-].Cl

Isomeric SMILES

CC1=[N+](C(=CC(=C1)Cl)N2CCCCCC2)[O-].Cl

InChI

InChI=1S/C12H17ClN2O.ClH/c1-10-8-11(13)9-12(15(10)16)14-6-4-2-3-5-7-14;/h8-9H,2-7H2,1H3;1H