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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(p-tolylsulfonyl)-4-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-(1-tosyl-4-piperidyl)methanone Formula: C25H32N3O5S+ MolecularWeight: 486.60368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H31N3O5S/c1-19-2-5-22(6-3-19)34(30,31)28-10-8-21(9-11-28)25(29)27-14-12-26(13-15-27)17-20-4-7-23-24(16-20)33-18-32-23/h2-7,16,21H,8-15,17-18H2,1H3/p+1