2-(1,3-benzothiazol-2-yl)butanebis(thioate); trimethyl-(2-methyl-2-oxidanyl-piperidin-1-yl)azanium

Systemtic Name: 2-(1,3-benzothiazol-2-yl)butanebis(thioate); trimethyl-(2-methyl-2-oxidanyl-piperidin-1-yl)azanium Openeye Name: 2-(1,3-benzothiazol-2-yl)butanebis(thioate); (2-hydroxy-2-methyl-1-piperidyl)-trimethyl-ammonium CAS Name: 2-(1,3-benzothiazol-2-yl)butanebis(thioate); (2-hydroxy-2-methyl-1-piperidinyl)-trimethylammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)butanebis(thioate); (2-hydroxy-2-methylpiperidin-1-yl)-trimethylazanium Traditional Name: 2-(1,3-benzothiazol-2-yl)butanebis(thioate); (2-hydroxy-2-methyl-piperidino)-trimethyl-ammonium Formula: C29H49N5O4S3 MolecularWeight: 627.92546

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCN1[N+](C)(C)C)O.CC1(CCCCN1[N+](C)(C)C)O.C1=CC=C2C(=C1)N=C(S2)C(CC(=S)[O-])C(=S)[O-]

Isomeric SMILES

CC1(CCCCN1[N+](C)(C)C)O.CC1(CCCCN1[N+](C)(C)C)O.C1=CC=C2C(=C1)N=C(S2)C(CC(=S)[O-])C(=S)[O-]

InChI

InChI=1S/C11H9NO2S3.2C9H21N2O/c13-9(15)5-6(11(14)16)10-12-7-3-1-2-4-8(7)17-10;2*1-9(12)7-5-6-8-10(9)11(2,3)4/h1-4,6H,5H2,(H,13,15)(H,14,16);2*12H,5-8H2,1-4H3/q;2*+1/p-2