2-(4-butylphenyl)-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-(4-butylphenyl)-3H-isoindol-2-ium-1-amine Openeye Name: 2-(4-butylphenyl)-3H-isoindol-2-ium-1-amine CAS Name: 2-(4-butylphenyl)-3H-isoindol-2-ium-1-amine IUPAC Name: 2-(4-butylphenyl)-3H-isoindol-2-ium-1-amine Traditional Name: [2-(4-butylphenyl)-3H-isoindol-2-ium-1-yl]amine Formula: C18H21N2+ MolecularWeight: 265.37274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C18H20N2/c1-2-3-6-14-9-11-16(12-10-14)20-13-15-7-4-5-8-17(15)18(20)19/h4-5,7-12,19H,2-3,6,13H2,1H3/p+1