N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-(1H-benzimidazol-2-ylmethyl)-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 1H-benzimidazol-2-ylmethyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C17H20N5O2S+ MolecularWeight: 358.438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H19N5O2S/c23-25(24,22-9-3-4-10-22)13-7-8-16(18-11-13)19-12-17-20-14-5-1-2-6-15(14)21-17/h1-2,5-8,11H,3-4,9-10,12H2,(H,18,19)(H,20,21)/p+1