but-3-ynyl-[2-(3-ethanoyl-2-methyl-indolizin-1-yl)propyl]-dimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: but-3-ynyl-[2-(3-ethanoyl-2-methyl-indolizin-1-yl)propyl]-dimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: 2-(3-acetyl-2-methyl-indolizin-1-yl)propyl-but-3-ynyl-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 2-(3-acetyl-2-methyl-1-indolizinyl)propyl-but-3-ynyl-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: 2-(3-acetyl-2-methylindolizin-1-yl)propyl-but-3-ynyl-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: 2-(3-acetyl-2-methyl-indolizin-1-yl)propyl-but-3-ynyl-dimethyl-ammonium tosylate Formula: C27H34N2O4S MolecularWeight: 482.63486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(N2C=CC=CC2=C1C(C)C[N+](C)(C)CCC#C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(N2C=CC=CC2=C1C(C)C[N+](C)(C)CCC#C)C(=O)C

InChI

InChI=1S/C20H27N2O.C7H8O3S/c1-7-8-13-22(5,6)14-15(2)19-16(3)20(17(4)23)21-12-10-9-11-18(19)21;1-6-2-4-7(5-3-6)11(8,9)10/h1,9-12,15H,8,13-14H2,2-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1