(2R)-N-[(2-methoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-[(2-methoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-[(2-methoxyphenyl)methyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[(2-methoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-[(2-methoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-o-anisyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C19H26N3O4S2+ MolecularWeight: 424.55744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H25N3O4S2/c1-15(19(23)20-14-16-6-3-4-7-17(16)26-2)21-9-11-22(12-10-21)28(24,25)18-8-5-13-27-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,20,23)/p+1/t15-/m1/s1