N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine Formula: C15H21N2O2+ MolecularWeight: 261.33944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

C1CCC(=[NH+]CC1)NC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C15H20N2O2/c1-2-8-15(16-9-5-1)17-10-12-11-18-13-6-3-4-7-14(13)19-12/h3-4,6-7,12H,1-2,5,8-11H2,(H,16,17)/p+1/t12-/m0/s1