(4R)-4-(2-chlorophenyl)-4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,1'-cyclohexane]

Systemtic Name: (4R)-4-(2-chlorophenyl)-4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,1'-cyclohexane] Openeye Name: (4R)-4-(2-chlorophenyl)-4'-(1,1-dimethylpropyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,1'-cyclohexane] CAS Name: (4R)-4-(2-chlorophenyl)-4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,1'-cyclohexane] IUPAC Name: (4R)-4-(2-chlorophenyl)-4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,1'-cyclohexane] Traditional Name: (4R)-4'-tert-amyl-4-(2-chlorophenyl)spiro[2,3,4,9-tetrahydro-$b-carbolin-2-ium-1,1'-cyclohexane] Formula: C27H34ClN2+ MolecularWeight: 422.02526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2(CC1)C3=C(C(C[NH2+]2)C4=CC=CC=C4Cl)C5=CC=CC=C5N3

Isomeric SMILES

CCC(C)(C)C1CCC2(CC1)C3=C([C@@H](C[NH2+]2)C4=CC=CC=C4Cl)C5=CC=CC=C5N3

InChI

InChI=1S/C27H33ClN2/c1-4-26(2,3)18-13-15-27(16-14-18)25-24(20-10-6-8-12-23(20)30-25)21(17-29-27)19-9-5-7-11-22(19)28/h5-12,18,21,29-30H,4,13-17H2,1-3H3/p+1/t18?,21-,27?/m0/s1