methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-[(2,3,4-trimethoxyphenyl)methyl]azanium

Systemtic Name: methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-[(2,3,4-trimethoxyphenyl)methyl]azanium Openeye Name: methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-[(2,3,4-trimethoxyphenyl)methyl]ammonium CAS Name: methyl-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-[(2,3,4-trimethoxyphenyl)methyl]ammonium IUPAC Name: methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-[(2,3,4-trimethoxyphenyl)methyl]azanium Traditional Name: [2-keto-2-(4-mesylpiperazino)ethyl]-methyl-(2,3,4-trimethoxybenzyl)ammonium Formula: C18H30N3O6S+ MolecularWeight: 416.5123

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C(=C(C=C1)OC)OC)OC)CC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[NH+](CC1=C(C(=C(C=C1)OC)OC)OC)CC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H29N3O6S/c1-19(12-14-6-7-15(25-2)18(27-4)17(14)26-3)13-16(22)20-8-10-21(11-9-20)28(5,23)24/h6-7H,8-13H2,1-5H3/p+1