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

Systemtic Name: 2-[2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: 2-[2-(1-oxidopyridin-1-ium-4-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: 2-[2-(1-oxido-4-pyridin-1-iumyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: 2-[2-(1-oxidopyridin-1-ium-4-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [2-[2-(1-oxidopyridin-1-ium-4-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=[N+](C=C2)[O-])N

Isomeric SMILES

C1CCC(=NC(C1)CCC2=CC=[N+](C=C2)[O-])N

InChI

InChI=1S/C13H19N3O/c14-13-4-2-1-3-12(15-13)6-5-11-7-9-16(17)10-8-11/h7-10,12H,1-6H2,(H2,14,15)