1-(phenylmethyl)-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-(phenylmethyl)-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-benzyl-4-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]piperazin-1-ium CAS Name: 1-(phenylmethyl)-4-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]piperazin-1-ium IUPAC Name: 1-benzyl-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-benzyl-4-(5-piperidinosulfonylpyridin-1-ium-2-yl)piperazin-1-ium Formula: C21H30N4O2S+2 MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H28N4O2S/c26-28(27,25-11-5-2-6-12-25)20-9-10-21(22-17-20)24-15-13-23(14-16-24)18-19-7-3-1-4-8-19/h1,3-4,7-10,17H,2,5-6,11-16,18H2/p+2