5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol ethanoate

Systemtic Name: 5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol ethanoate Openeye Name: 5,11-dimethyl-2-[2-(1-piperidyl)ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate CAS Name: 5,11-dimethyl-2-[2-(1-piperidinyl)ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate IUPAC Name: 5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate Traditional Name: 5,11-dimethyl-2-(2-piperidinoethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate Formula: C26H31N3O3 MolecularWeight: 433.54264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=C[N+](=C3)CCN4CCCCC4)C)C5=C(N2)C=CC(=C5)O.CC(=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C3=C1C=C[N+](=C3)CCN4CCCCC4)C)C5=C(N2)C=CC(=C5)O.CC(=O)[O-]

InChI

InChI=1S/C24H27N3O.C2H4O2/c1-16-21-15-27(13-12-26-9-4-3-5-10-26)11-8-19(21)17(2)24-23(16)20-14-18(28)6-7-22(20)25-24;1-2(3)4/h6-8,11,14-15,28H,3-5,9-10,12-13H2,1-2H3;1H3,(H,3,4)