[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl-[[1-(2-methylpropyl)piperidin-1-ium-4-yl]methyl]azanium

Systemtic Name: [5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl-[[1-(2-methylpropyl)piperidin-1-ium-4-yl]methyl]azanium Openeye Name: [5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl-[(1-isobutylpiperidin-1-ium-4-yl)methyl]ammonium CAS Name: [5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]methyl-[[1-(2-methylpropyl)-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: [5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl-[[1-(2-methylpropyl)piperidin-1-ium-4-yl]methyl]azanium Traditional Name: [5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl-[(1-isobutylpiperidin-1-ium-4-yl)methyl]ammonium Formula: C20H34N2OS+2 MolecularWeight: 350.56176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(CC1)C[NH2+]CC2=CC=C(S2)C#CC(C)(C)O

Isomeric SMILES

CC(C)C[NH+]1CCC(CC1)C[NH2+]CC2=CC=C(S2)C#CC(C)(C)O

InChI

InChI=1S/C20H32N2OS/c1-16(2)15-22-11-8-17(9-12-22)13-21-14-19-6-5-18(24-19)7-10-20(3,4)23/h5-6,16-17,21,23H,8-9,11-15H2,1-4H3/p+2