N-methyl-2-(2-methylpropyl)-1-(phenylmethyl)sulfinyl-benzimidazol-1-ium-1-amine

Systemtic Name: N-methyl-2-(2-methylpropyl)-1-(phenylmethyl)sulfinyl-benzimidazol-1-ium-1-amine Openeye Name: 1-benzylsulfinyl-2-isobutyl-N-methyl-benzimidazol-1-ium-1-amine CAS Name: N-methyl-2-(2-methylpropyl)-1-(phenylmethyl)sulfinyl-1-benzimidazol-1-iumamine IUPAC Name: 1-benzylsulfinyl-N-methyl-2-(2-methylpropyl)benzimidazol-1-ium-1-amine Traditional Name: (1-benzylsulfinyl-2-isobutyl-benzimidazol-1-ium-1-yl)-methyl-amine Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=CC=CC=C2[N+]1(NC)S(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=NC2=CC=CC=C2[N+]1(NC)S(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N3OS/c1-15(2)13-19-21-17-11-7-8-12-18(17)22(19,20-3)24(23)14-16-9-5-4-6-10-16/h4-12,15,20H,13-14H2,1-3H3/q+1