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

Systemtic Name: 3-(2-azanylethylamino)-2-methyl-4-[4-methyl-1-(2-methyl-2-sulfanyl-propyl)piperazin-1-ium-1-yl]butane-2-thiol Openeye Name: 3-(2-aminoethylamino)-2-methyl-4-[4-methyl-1-(2-methyl-2-sulfanyl-propyl)piperazin-1-ium-1-yl]butane-2-thiol CAS Name: 3-(2-aminoethylamino)-4-[1-(2-mercapto-2-methylpropyl)-4-methyl-1-piperazin-1-iumyl]-2-methyl-2-butanethiol IUPAC Name: 3-(2-aminoethylamino)-2-methyl-4-[4-methyl-1-(2-methyl-2-sulfanylpropyl)piperazin-1-ium-1-yl]butane-2-thiol Traditional Name: 3-(2-aminoethylamino)-4-[1-(2-mercapto-2-methyl-propyl)-4-methyl-piperazin-1-ium-1-yl]-2-methyl-butane-2-thiol Formula: C16H37N4S2+ MolecularWeight: 349.62178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[N+]1(CCN(CC1)C)CC(C(C)(C)S)NCCN)S

Isomeric SMILES

CC(C)(C[N+]1(CCN(CC1)C)CC(C(C)(C)S)NCCN)S

InChI

InChI=1S/C16H36N4S2/c1-15(2,21)13-20(10-8-19(5)9-11-20)12-14(16(3,4)22)18-7-6-17/h14,18H,6-13,17H2,1-5H3,(H-,21,22)/p+1