(2S)-3-(1H-imidazol-5-yl)-2-[[(3S)-3-methylpiperidin-1-yl]sulfonylazaniumyl]propanoate

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(3S)-3-methylpiperidin-1-yl]sulfonylazaniumyl]propanoate Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(3S)-3-methyl-1-piperidyl]sulfonylammonio]propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(3S)-3-methyl-1-piperidinyl]sulfonylammonio]propanoate IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(3S)-3-methylpiperidin-1-yl]sulfonylazaniumyl]propanoate Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(3S)-3-methylpiperidino]sulfonylammonio]propionate Formula: C12H20N4O4S MolecularWeight: 316.3766

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)[NH2+]C(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)[NH2+][C@@H](CC2=CN=CN2)C(=O)[O-]

InChI

InChI=1S/C12H20N4O4S/c1-9-3-2-4-16(7-9)21(19,20)15-11(12(17)18)5-10-6-13-8-14-10/h6,8-9,11,15H,2-5,7H2,1H3,(H,13,14)(H,17,18)/t9-,11-/m0/s1