(2-chlorophenyl)-(2,2,8-trimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)methanone iodide

Systemtic Name: (2-chlorophenyl)-(2,2,8-trimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)methanone iodide Openeye Name: (2-chlorophenyl)-(2,2,8-trimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)methanone iodide CAS Name: (2-chlorophenyl)-(2,2,8-trimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)methanone iodide IUPAC Name: (2-chlorophenyl)-(2,2,8-trimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)methanone iodide Traditional Name: (2-chlorophenyl)-(2,2,8-trimethyl-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indol-2-ium-5-yl)methanone iodide Formula: C21H24ClIN2O MolecularWeight: 482.78553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3C2C[N+](CC3)(C)C)C(=O)C4=CC=CC=C4Cl.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3C2C[N+](CC3)(C)C)C(=O)C4=CC=CC=C4Cl.[I-]

InChI

InChI=1S/C21H24ClN2O.HI/c1-14-8-9-19-16(12-14)17-13-24(2,3)11-10-20(17)23(19)21(25)15-6-4-5-7-18(15)22;/h4-9,12,17,20H,10-11,13H2,1-3H3;1H/q+1;/p-1