2-[3-(13-azanylidene-13-pyrrolidin-1-yl-tridecyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol dichloride

Systemtic Name: 2-[3-(13-azanylidene-13-pyrrolidin-1-yl-tridecyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol dichloride Openeye Name: 2-[3-(13-imino-13-pyrrolidin-1-yl-tridecyl)-4-methyl-thiazol-3-ium-5-yl]ethanol dichloride CAS Name: 2-[3-[13-imino-13-(1-pyrrolidinyl)tridecyl]-4-methyl-5-thiazol-3-iumyl]ethanol dichloride IUPAC Name: 2-[3-(13-imino-13-pyrrolidin-1-yltridecyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol dichloride Traditional Name: 2-[3-(13-imino-13-pyrrolidino-tridecyl)-4-methyl-thiazol-3-ium-5-yl]ethanol dichloride Formula: C23H42Cl2N3OS- MolecularWeight: 479.57008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CCCCCCCCCCCCC(=N)N2CCCC2)CCO.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CCCCCCCCCCCCC(=N)N2CCCC2)CCO.[Cl-].[Cl-]

InChI

InChI=1S/C23H42N3OS.2ClH/c1-21-22(15-19-27)28-20-26(21)18-11-9-7-5-3-2-4-6-8-10-14-23(24)25-16-12-13-17-25;;/h20,24,27H,2-19H2,1H3;2*1H/q+1;;/p-2