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

Systemtic Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enyl-propanamide Openeye Name: (2R)-N-allyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-prop-2-enylpropanamide IUPAC Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide Traditional Name: (2R)-N-allyl-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-4-10-19-18(22)15(3)20-11-13-21(14-12-20)26(23,24)17-8-6-16(7-9-17)25-5-2/h4,6-9,15H,1,5,10-14H2,2-3H3,(H,19,22)/p+1/t15-/m1/s1