[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-methylsulfonyl-4-piperidyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(1-methylsulfonyl-4-piperidinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone Traditional Name: (1-mesyl-4-piperidyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C19H28N3O5S+ MolecularWeight: 410.50772

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H27N3O5S/c1-28(24,25)22-6-4-16(5-7-22)19(23)21-10-8-20(9-11-21)13-15-2-3-17-18(12-15)27-14-26-17/h2-3,12,16H,4-11,13-14H2,1H3/p+1