N-(5-methoxypyridin-1-ium-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: N-(5-methoxypyridin-1-ium-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: N-(5-methoxypyridin-1-ium-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: N-(5-methoxy-2-pyridin-1-iumyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: N-(5-methoxypyridin-1-ium-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: (5-methoxypyridin-1-ium-2-yl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C[NH+]=C(C=C1)NC2=NCCCCC2

Isomeric SMILES

COC1=C[NH+]=C(C=C1)NC2=NCCCCC2

InChI

InChI=1S/C12H17N3O/c1-16-10-6-7-12(14-9-10)15-11-5-3-2-4-8-13-11/h6-7,9H,2-5,8H2,1H3,(H,13,14,15)/p+1