carbamimidoyl(dodecyl)azanium; 6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]carbonyloxyhexanoic acid

Systemtic Name: carbamimidoyl(dodecyl)azanium; 6-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]carbonyloxyhexanoic acid Openeye Name: carbamimidoyl(dodecyl)ammonium; 6-(2-thiazol-4-ylbenzimidazole-1-carbonyl)oxyhexanoic acid CAS Name: carbamimidoyl(dodecyl)ammonium; 6-[oxo-[2-(4-thiazolyl)-1-benzimidazolyl]methoxy]hexanoic acid IUPAC Name: carbamimidoyl(dodecyl)azanium; 6-[2-(1,3-thiazol-4-yl)benzimidazole-1-carbonyl]oxyhexanoic acid Traditional Name: amidino(lauryl)ammonium; 6-(2-thiazol-4-ylbenzimidazole-1-carbonyl)oxyhexanoic acid Formula: C30H47N6O4S+ MolecularWeight: 587.79698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH2+]C(=N)N.C1=CC=C2C(=C1)N=C(N2C(=O)OCCCCCC(=O)O)C3=CSC=N3

Isomeric SMILES

CCCCCCCCCCCC[NH2+]C(=N)N.C1=CC=C2C(=C1)N=C(N2C(=O)OCCCCCC(=O)O)C3=CSC=N3

InChI

InChI=1S/C17H17N3O4S.C13H29N3/c21-15(22)8-2-1-5-9-24-17(23)20-14-7-4-3-6-12(14)19-16(20)13-10-25-11-18-13;1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h3-4,6-7,10-11H,1-2,5,8-9H2,(H,21,22);2-12H2,1H3,(H4,14,15,16)/p+1