[9-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [9-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [9-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [9-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: [9-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [9-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydrocarbazol-3-yl] ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=CC=CC=C4N3CCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=CC=CC=C4N3CCCN(C)C

InChI

InChI=1S/C24H30N2O3S/c1-18-9-12-20(13-10-18)30(27,28)29-19-11-14-24-22(17-19)21-7-4-5-8-23(21)26(24)16-6-15-25(2)3/h4-5,7-10,12-13,19H,6,11,14-17H2,1-3H3