2-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: 2-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: 2-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: 2-[2-(1-oxido-2-pyridin-1-iumyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: 2-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [2-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]amine Formula: C13H19N3O MolecularWeight: 233.30946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)CCC2=CC=CC=[N+]2[O-])N

Isomeric SMILES

C1CCC(=NC(C1)CCC2=CC=CC=[N+]2[O-])N

InChI

InChI=1S/C13H19N3O/c14-13-7-2-1-5-11(15-13)8-9-12-6-3-4-10-16(12)17/h3-4,6,10-11H,1-2,5,7-9H2,(H2,14,15)