methyl 4-(2-ethyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium-1-yl)butanoate iodide

Systemtic Name: methyl 4-(2-ethyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium-1-yl)butanoate iodide Openeye Name: methyl 4-(2-ethyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium-1-yl)butanoate iodide CAS Name: 4-(2-ethyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium-1-yl)butanoic acid methyl ester iodide IUPAC Name: methyl 4-(2-ethyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium-1-yl)butanoate iodide Traditional Name: 4-(2-ethyl-4,9-dihydro-3H-$b-carbolin-2-ium-1-yl)butyric acid methyl ester iodide Formula: C18H23IN2O2 MolecularWeight: 426.29189

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=C(CC1)C3=CC=CC=C3N2)CCCC(=O)OC.[I-]

Isomeric SMILES

CC[N+]1=C(C2=C(CC1)C3=CC=CC=C3N2)CCCC(=O)OC.[I-]

InChI

InChI=1S/C18H22N2O2.HI/c1-3-20-12-11-14-13-7-4-5-8-15(13)19-18(14)16(20)9-6-10-17(21)22-2;/h4-5,7-8H,3,6,9-12H2,1-2H3;1H