3-(2,3-dimethylbutyl)-3H-benzo[e]indol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-(2,3-dimethylbutyl)-3H-benzo[e]indol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-(2,3-dimethylbutyl)-3H-benzo[e]indol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-(2,3-dimethylbutyl)-3H-benzo[e]indol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-(2,3-dimethylbutyl)-3H-benzo[e]indol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-(2,3-dimethylbutyl)-3H-benz[e]indol-3-ium tosylate Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)C(C)C[NH+]1C=CC2=C1C=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)C(C)C[NH+]1C=CC2=C1C=CC3=CC=CC=C32

InChI

InChI=1S/C18H21N.C7H8O3S/c1-13(2)14(3)12-19-11-10-17-16-7-5-4-6-15(16)8-9-18(17)19;1-6-2-4-7(5-3-6)11(8,9)10/h4-11,13-14H,12H2,1-3H3;2-5H,1H3,(H,8,9,10)