3-(2-azanylethylamino)-2-methyl-4-[4-methyl-1-(2-methyl-2-sulfanyl-propyl)piperidin-1-ium-1-yl]butane-2-thiol

Systemtic Name: 3-(2-azanylethylamino)-2-methyl-4-[4-methyl-1-(2-methyl-2-sulfanyl-propyl)piperidin-1-ium-1-yl]butane-2-thiol Openeye Name: 3-(2-aminoethylamino)-2-methyl-4-[4-methyl-1-(2-methyl-2-sulfanyl-propyl)piperidin-1-ium-1-yl]butane-2-thiol CAS Name: 3-(2-aminoethylamino)-4-[1-(2-mercapto-2-methylpropyl)-4-methyl-1-piperidin-1-iumyl]-2-methyl-2-butanethiol IUPAC Name: 3-(2-aminoethylamino)-2-methyl-4-[4-methyl-1-(2-methyl-2-sulfanylpropyl)piperidin-1-ium-1-yl]butane-2-thiol Traditional Name: 3-(2-aminoethylamino)-4-[1-(2-mercapto-2-methyl-propyl)-4-methyl-piperidin-1-ium-1-yl]-2-methyl-butane-2-thiol Formula: C17H38N3S2+ MolecularWeight: 348.63372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](CC1)(CC(C(C)(C)S)NCCN)CC(C)(C)S

Isomeric SMILES

CC1CC[N+](CC1)(CC(C(C)(C)S)NCCN)CC(C)(C)S

InChI

InChI=1S/C17H37N3S2/c1-14-6-10-20(11-7-14,13-16(2,3)21)12-15(17(4,5)22)19-9-8-18/h14-15,19H,6-13,18H2,1-5H3,(H-,21,22)/p+1