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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-(1H-benzimidazol-2-ylmethyl)-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 1H-benzimidazol-2-ylmethyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C18H22N5O2S+ MolecularWeight: 372.46458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H21N5O2S/c24-26(25,23-10-4-1-5-11-23)14-8-9-17(19-12-14)20-13-18-21-15-6-2-3-7-16(15)22-18/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,19,20)(H,21,22)/p+1