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

Systemtic Name: 3-(2-azanylethylamino)-4-[1-(2-butylsulfanyl-2-methyl-propyl)-4-methyl-piperidin-1-ium-1-yl]-2-methyl-butane-2-thiol Openeye Name: 3-(2-aminoethylamino)-4-[1-(2-butylsulfanyl-2-methyl-propyl)-4-methyl-piperidin-1-ium-1-yl]-2-methyl-butane-2-thiol CAS Name: 3-(2-aminoethylamino)-4-[1-[2-(butylthio)-2-methylpropyl]-4-methyl-1-piperidin-1-iumyl]-2-methyl-2-butanethiol IUPAC Name: 3-(2-aminoethylamino)-4-[1-(2-butylsulfanyl-2-methylpropyl)-4-methylpiperidin-1-ium-1-yl]-2-methylbutane-2-thiol Traditional Name: 3-(2-aminoethylamino)-4-[1-[2-(butylthio)-2-methyl-propyl]-4-methyl-piperidin-1-ium-1-yl]-2-methyl-butane-2-thiol Formula: C21H46N3S2+ MolecularWeight: 404.74004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H45N3S2/c1-7-8-15-26-20(3,4)17-24(13-9-18(2)10-14-24)16-19(21(5,6)25)23-12-11-22/h18-19,23H,7-17,22H2,1-6H3/p+1