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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(4-methoxy-3-methyl-phenyl)sulfonyl-4-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[1-(4-methoxy-3-methylphenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: [1-(4-methoxy-3-methyl-phenyl)sulfonyl-4-piperidyl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C26H34N3O6S+ MolecularWeight: 516.62966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O6S/c1-19-15-22(4-6-23(19)33-2)36(31,32)29-9-7-21(8-10-29)26(30)28-13-11-27(12-14-28)17-20-3-5-24-25(16-20)35-18-34-24/h3-6,15-16,21H,7-14,17-18H2,1-2H3/p+1