2-[2-(4-methoxyphenyl)ethyl]-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-[2-(4-methoxyphenyl)ethyl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[2-(4-methoxyphenyl)ethyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[2-(4-methoxyphenyl)ethyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[2-(4-methoxyphenyl)ethyl]-3H-isoindol-2-ium-1-amine Traditional Name: [2-[2-(4-methoxyphenyl)ethyl]-3H-isoindol-2-ium-1-yl]amine Formula: C17H19N2O+ MolecularWeight: 267.34556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

COC1=CC=C(C=C1)CC[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C17H18N2O/c1-20-15-8-6-13(7-9-15)10-11-19-12-14-4-2-3-5-16(14)17(19)18/h2-9,18H,10-12H2,1H3/p+1