8-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)octanoic acid

Systemtic Name: 8-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)octanoic acid Openeye Name: 8-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)octanoic acid CAS Name: 8-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)octanoic acid IUPAC Name: 8-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)octanoic acid Traditional Name: 8-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)caprylic acid Formula: C25H29N2O2+ MolecularWeight: 389.50996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=C[N+](=C3)CCCCCCCC(=O)O)C)C4=CC=CC=C4N2

Isomeric SMILES

CC1=C2C(=C(C3=C1C=C[N+](=C3)CCCCCCCC(=O)O)C)C4=CC=CC=C4N2

InChI

InChI=1S/C25H28N2O2/c1-17-21-16-27(14-9-5-3-4-6-12-23(28)29)15-13-19(21)18(2)25-24(17)20-10-7-8-11-22(20)26-25/h7-8,10-11,13,15-16H,3-6,9,12,14H2,1-2H3,(H,28,29)/p+1