(2R)-N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C17H26N3O4S+ MolecularWeight: 368.47104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H25N3O4S/c1-13(17(21)18-14-3-4-14)19-9-11-20(12-10-19)25(22,23)16-7-5-15(24-2)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,18,21)/p+1/t13-/m1/s1