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

Systemtic Name: N-(4-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-(4-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-(4-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-(4-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: (4-methoxyphenyl)-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine Formula: C13H19N2O+ MolecularWeight: 219.30276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=[NH+]CCCCC2

Isomeric SMILES

COC1=CC=C(C=C1)NC2=[NH+]CCCCC2

InChI

InChI=1S/C13H18N2O/c1-16-12-8-6-11(7-9-12)15-13-5-3-2-4-10-14-13/h6-9H,2-5,10H2,1H3,(H,14,15)/p+1