1-[4-(2-dimethylaminoethyl)-1-methyl-3-phenyl-1H-pyrrolo[1,2-a]indol-2-yl]ethanone; 4-methylbenzenesulfonic acid

Systemtic Name: 1-[4-(2-dimethylaminoethyl)-1-methyl-3-phenyl-1H-pyrrolo[1,2-a]indol-2-yl]ethanone; 4-methylbenzenesulfonic acid Openeye Name: 1-[4-(2-dimethylaminoethyl)-1-methyl-3-phenyl-1H-pyrrolo[1,2-a]indol-2-yl]ethanone; 4-methylbenzenesulfonic acid CAS Name: 1-[4-(2-dimethylaminoethyl)-1-methyl-3-phenyl-1H-pyrrolo[1,2-a]indol-2-yl]ethanone; 4-methylbenzenesulfonic acid IUPAC Name: 1-[4-(2-dimethylaminoethyl)-1-methyl-3-phenyl-1H-pyrrolo[1,2-a]indol-2-yl]ethanone; 4-methylbenzenesulfonic acid Traditional Name: 1-[4-(2-dimethylaminoethyl)-1-methyl-3-phenyl-1H-pyrrol[1,2-a]indol-2-yl]ethanone; tosylic acid Formula: C31H34N2O4S MolecularWeight: 530.67766

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(C2=C(C3=CC=CC=C3N12)CCN(C)C)C4=CC=CC=C4)C(=O)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1C(=C(C2=C(C3=CC=CC=C3N12)CCN(C)C)C4=CC=CC=C4)C(=O)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C24H26N2O.C7H8O3S/c1-16-22(17(2)27)23(18-10-6-5-7-11-18)24-20(14-15-25(3)4)19-12-8-9-13-21(19)26(16)24;1-6-2-4-7(5-3-6)11(8,9)10/h5-13,16H,14-15H2,1-4H3;2-5H,1H3,(H,8,9,10)