1-(5-methylpyridin-1-ium-2-yl)-1,4-diazepan-4-ium

Systemtic Name: 1-(5-methylpyridin-1-ium-2-yl)-1,4-diazepan-4-ium Openeye Name: 1-(5-methylpyridin-1-ium-2-yl)-1,4-diazepan-4-ium CAS Name: 1-(5-methyl-2-pyridin-1-iumyl)-1,4-diazepan-4-ium IUPAC Name: 1-(5-methylpyridin-1-ium-2-yl)-1,4-diazepan-4-ium Traditional Name: 1-(5-methylpyridin-1-ium-2-yl)-1,4-diazepan-4-ium Formula: C11H19N3+2 MolecularWeight: 193.28866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=C[NH+]=C(C=C1)N2CCC[NH2+]CC2

InChI

InChI=1S/C11H17N3/c1-10-3-4-11(13-9-10)14-7-2-5-12-6-8-14/h3-4,9,12H,2,5-8H2,1H3/p+2