13-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-N'-propan-2-yl-tridecanimidamide dichloride

Systemtic Name: 13-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-N'-propan-2-yl-tridecanimidamide dichloride Openeye Name: 13-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-N'-isopropyl-tridecanamidine dichloride CAS Name: 13-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]-N'-propan-2-yltridecanimidamide dichloride IUPAC Name: 13-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-N'-propan-2-yltridecanimidamide dichloride Traditional Name: 13-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-N'-isopropyl-tridecanamidine dichloride Formula: C22H42Cl2N3OS- MolecularWeight: 467.55938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42N3OS.2ClH/c1-19(2)24-22(23)14-12-10-8-6-4-5-7-9-11-13-16-25-18-27-21(15-17-26)20(25)3;;/h18-19,26H,4-17H2,1-3H3,(H2,23,24);2*1H/q+1;;/p-2