N-chloranyl-2-methyl-4-pyridin-1-ium-1-yl-butan-2-amine chloride

Systemtic Name: N-chloranyl-2-methyl-4-pyridin-1-ium-1-yl-butan-2-amine chloride Openeye Name: N-chloro-2-methyl-4-pyridin-1-ium-1-yl-butan-2-amine chloride CAS Name: N-chloro-2-methyl-4-(1-pyridin-1-iumyl)-2-butanamine chloride IUPAC Name: N-chloro-2-methyl-4-pyridin-1-ium-1-ylbutan-2-amine chloride Traditional Name: chloro-(1,1-dimethyl-3-pyridin-1-ium-1-yl-propyl)amine chloride Formula: C10H16Cl2N2 MolecularWeight: 235.15344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC[N+]1=CC=CC=C1)NCl.[Cl-]

Isomeric SMILES

CC(C)(CC[N+]1=CC=CC=C1)NCl.[Cl-]

InChI

InChI=1S/C10H16ClN2.ClH/c1-10(2,12-11)6-9-13-7-4-3-5-8-13;/h3-5,7-8,12H,6,9H2,1-2H3;1H/q+1;/p-1