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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-ethylsulfonylpiperidin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-ethylsulfonyl-4-piperidyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(1-ethylsulfonyl-4-piperidinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-ethylsulfonylpiperidin-4-yl)methanone Traditional Name: (1-esyl-4-piperidyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C20H30N3O5S+ MolecularWeight: 424.5343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-2-29(25,26)23-7-5-17(6-8-23)20(24)22-11-9-21(10-12-22)14-16-3-4-18-19(13-16)28-15-27-18/h3-4,13,17H,2,5-12,14-15H2,1H3/p+1