2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-isopropyl-N-methyl-acetamide CAS Name: 2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-propan-2-ylacetamide IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-propan-2-ylacetamide Traditional Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-isopropyl-N-methyl-acetamide Formula: C18H30N3O5S+ MolecularWeight: 400.5129

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)N(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H29N3O5S/c1-14(2)19(3)18(22)13-20-8-10-21(11-9-20)27(23,24)15-6-7-16(25-4)17(12-15)26-5/h6-7,12,14H,8-11,13H2,1-5H3/p+1