(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-propanamide

Systemtic Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-propanamide Openeye Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-propanamide CAS Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-methylpropanamide IUPAC Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylpropanamide Traditional Name: (2R)-N-methyl-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C16H26N3O4S+ MolecularWeight: 356.46034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC

InChI

InChI=1S/C16H25N3O4S/c1-4-23-14-5-7-15(8-6-14)24(21,22)19-11-9-18(10-12-19)13(2)16(20)17-3/h5-8,13H,4,9-12H2,1-3H3,(H,17,20)/p+1/t13-/m1/s1