1-(2-chlorophenyl)-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(2-chlorophenyl)-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Openeye Name: 1-(2-chlorophenyl)-4-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]piperazine CAS Name: 1-(2-chlorophenyl)-4-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(2-chlorophenyl)-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Traditional Name: 1-(2-chlorophenyl)-4-(5-piperidinosulfonylpyridin-1-ium-2-yl)piperazine Formula: C20H26ClN4O2S+ MolecularWeight: 421.96404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H25ClN4O2S/c21-18-6-2-3-7-19(18)23-12-14-24(15-13-23)20-9-8-17(16-22-20)28(26,27)25-10-4-1-5-11-25/h2-3,6-9,16H,1,4-5,10-15H2/p+1