N-butylsulfonyl-2-methyl-1-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide

Systemtic Name: N-butylsulfonyl-2-methyl-1-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide Openeye Name: N-butylsulfonyl-2-methyl-1-(2-pyridylmethyl)benzimidazol-1-ium-1-carboxamide CAS Name: N-butylsulfonyl-2-methyl-1-(2-pyridinylmethyl)-1-benzimidazol-1-iumcarboxamide IUPAC Name: N-butylsulfonyl-2-methyl-1-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide Traditional Name: N-butylsulfonyl-2-methyl-1-(2-pyridylmethyl)benzimidazol-1-ium-1-carboxamide Formula: C19H23N4O3S+ MolecularWeight: 387.47592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(=O)[N+]1(C(=NC2=CC=CC=C21)C)CC3=CC=CC=N3

Isomeric SMILES

CCCCS(=O)(=O)NC(=O)[N+]1(C(=NC2=CC=CC=C21)C)CC3=CC=CC=N3

InChI

InChI=1S/C19H22N4O3S/c1-3-4-13-27(25,26)22-19(24)23(14-16-9-7-8-12-20-16)15(2)21-17-10-5-6-11-18(17)23/h5-12H,3-4,13-14H2,1-2H3/p+1