2-[(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)sulfonylmethyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(4-methyl-4-oxido-piperazin-4-ium-1-yl)sulfonyl-propanoic acid CAS Name: 2-[(4-methyl-4-oxido-1-piperazin-4-iumyl)sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(4-methyl-4-oxidopiperazin-4-ium-1-yl)sulfonylpropanoic acid Traditional Name: 2-benzyl-3-(4-methyl-4-oxido-piperazin-4-ium-1-yl)sulfonyl-propionic acid Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O)[O-]

InChI

InChI=1S/C15H22N2O5S/c1-17(20)9-7-16(8-10-17)23(21,22)12-14(15(18)19)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,19)