1,4-dimethyl-4aH-pyrido[3,4-b]indol-9-ium-3-amine ethanoate

Systemtic Name: 1,4-dimethyl-4aH-pyrido[3,4-b]indol-9-ium-3-amine ethanoate Openeye Name: 1,4-dimethyl-4aH-pyrido[3,4-b]indol-9-ium-3-amine acetate CAS Name: 1,4-dimethyl-4aH-pyrido[3,4-b]indol-9-ium-3-amine acetate IUPAC Name: 1,4-dimethyl-4aH-pyrido[3,4-b]indol-9-ium-3-amine acetate Traditional Name: (1,4-dimethyl-4aH-$b-carbolin-9-ium-3-yl)amine acetate Formula: C15H17N3O2 MolecularWeight: 271.31438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C2=[NH+]C3=CC=CC=C3C12)C)N.CC(=O)[O-]

Isomeric SMILES

CC1=C(N=C(C2=[NH+]C3=CC=CC=C3C12)C)N.CC(=O)[O-]

InChI

InChI=1S/C13H13N3.C2H4O2/c1-7-11-9-5-3-4-6-10(9)16-12(11)8(2)15-13(7)14;1-2(3)4/h3-6,11H,14H2,1-2H3;1H3,(H,3,4)