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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: [1-(4-methoxyphenyl)sulfonyl-4-piperidyl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C25H32N3O6S+ MolecularWeight: 502.60308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H31N3O6S/c1-32-21-3-5-22(6-4-21)35(30,31)28-10-8-20(9-11-28)25(29)27-14-12-26(13-15-27)17-19-2-7-23-24(16-19)34-18-33-23/h2-7,16,20H,8-15,17-18H2,1H3/p+1