N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)OCC

InChI

InChI=1S/C19H29N3O5S/c1-3-26-17-8-7-16(13-18(17)27-4-2)28(24,25)22-11-9-21(10-12-22)14-19(23)20-15-5-6-15/h7-8,13,15H,3-6,9-12,14H2,1-2H3,(H,20,23)/p+1