[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-keto-ethyl]-methyl-ammonium Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H29N3O5S/c1-23(16-18-7-5-4-6-8-18)17-22(26)24-11-13-25(14-12-24)31(27,28)19-9-10-20(29-2)21(15-19)30-3/h4-10,15H,11-14,16-17H2,1-3H3/p+1