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

Systemtic Name: N-(pyridin-3-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-(3-pyridylmethyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-(3-pyridinylmethyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-(pyridin-3-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: 3-pyridylmethyl(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine Formula: C12H18N3+ MolecularWeight: 204.29142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NCC2=CN=CC=C2

Isomeric SMILES

C1CCC(=[NH+]CC1)NCC2=CN=CC=C2

InChI

InChI=1S/C12H17N3/c1-2-6-12(14-8-3-1)15-10-11-5-4-7-13-9-11/h4-5,7,9H,1-3,6,8,10H2,(H,14,15)/p+1