[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(2-thienylsulfonyl)-4-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-[1-(2-thienylsulfonyl)-4-piperidyl]methanone Formula: C22H28N3O5S2+ MolecularWeight: 478.60482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H27N3O5S2/c26-22(18-5-7-25(8-6-18)32(27,28)21-2-1-13-31-21)24-11-9-23(10-12-24)15-17-3-4-19-20(14-17)30-16-29-19/h1-4,13-14,18H,5-12,15-16H2/p+1