N-(phenylmethyl)-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-(phenylmethyl)-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-benzyl-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-(phenylmethyl)-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-benzyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: benzyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O2S/c21-23(22,20-11-5-2-6-12-20)16-9-10-17(19-14-16)18-13-15-7-3-1-4-8-15/h1,3-4,7-10,14H,2,5-6,11-13H2,(H,18,19)/p+1