(2S)-N-(4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-methoxyphenyl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-2-(4-mesylpiperazin-1-ium-1-yl)-N-(4-methoxyphenyl)propionamide Formula: C15H24N3O4S+ MolecularWeight: 342.43376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H23N3O4S/c1-12(17-8-10-18(11-9-17)23(3,20)21)15(19)16-13-4-6-14(22-2)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,16,19)/p+1/t12-/m0/s1