N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C22H32N4O2S+2 MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O2S/c27-29(28,26-13-5-2-6-14-26)21-9-10-22(23-17-21)24-20-11-15-25(16-12-20)18-19-7-3-1-4-8-19/h1,3-4,7-10,17,20H,2,5-6,11-16,18H2,(H,23,24)/p+2