1-dodecylpyridin-1-ium; methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate; chloride

Systemtic Name: 1-dodecylpyridin-1-ium; methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate; chloride Openeye Name: 1-dodecylpyridin-1-ium; methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate; chloride CAS Name: N-[1-[butylamino(oxo)methyl]-2-benzimidazolyl]carbamic acid methyl ester; 1-dodecylpyridin-1-ium; chloride IUPAC Name: 1-dodecylpyridin-1-ium; methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate; chloride Traditional Name: N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamic acid methyl ester; 1-laurylpyridin-1-ium; chloride Formula: C31H48ClN5O3 MolecularWeight: 574.19752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC.[Cl-]

InChI

InChI=1S/C17H30N.C14H18N4O3.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2;/h11,13-14,16-17H,2-10,12,15H2,1H3;5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20);1H/q+1;;/p-1