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

Systemtic Name: N-(4-ethoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-(4-ethoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-(4-ethoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-(4-ethoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: p-phenetyl(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=[NH+]CCCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=[NH+]CCCCC2

InChI

InChI=1S/C14H20N2O/c1-2-17-13-9-7-12(8-10-13)16-14-6-4-3-5-11-15-14/h7-10H,2-6,11H2,1H3,(H,15,16)/p+1