N-butyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C18H30N3O5S+ MolecularWeight: 400.5129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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