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

Systemtic Name: N-(pyridin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-(4-pyridylmethyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-(pyridin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-(pyridin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: 4-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=CC=NC=C2

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3/c1-2-4-12(14-7-3-1)15-10-11-5-8-13-9-6-11/h5-6,8-9H,1-4,7,10H2,(H,14,15)/p+1