1-(6-chloranyl-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-ium-2-yl)cyclobutane-1-carboxylic acid

Systemtic Name: 1-(6-chloranyl-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-ium-2-yl)cyclobutane-1-carboxylic acid Openeye Name: 1-(6-chloro-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-ium-2-yl)cyclobutanecarboxylic acid CAS Name: 1-(6-chloro-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-ium-2-yl)-1-cyclobutanecarboxylic acid IUPAC Name: 1-(6-chloro-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-ium-2-yl)cyclobutane-1-carboxylic acid Traditional Name: 1-(6-chloro-2,9-dimethyl-3,4-dihydro-1H-$b-carbolin-2-ium-2-yl)cyclobutanecarboxylic acid Formula: C18H22ClN2O2+ MolecularWeight: 333.83248

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC[N+](C2)(C)C3(CCC3)C(=O)O)C4=C1C=CC(=C4)Cl

Isomeric SMILES

CN1C2=C(CC[N+](C2)(C)C3(CCC3)C(=O)O)C4=C1C=CC(=C4)Cl

InChI

InChI=1S/C18H21ClN2O2/c1-20-15-5-4-12(19)10-14(15)13-6-9-21(2,11-16(13)20)18(17(22)23)7-3-8-18/h4-5,10H,3,6-9,11H2,1-2H3/p+1