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

Systemtic Name: N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: (3-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=CC(=C1)NC2=[NH+]CCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O/c1-16-12-7-5-6-11(10-12)15-13-8-3-2-4-9-14-13/h5-7,10H,2-4,8-9H2,1H3,(H,14,15)/p+1