(4-ethoxycarbonyl-1H-pyrazol-5-yl)sulfonyl-[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanide

Systemtic Name: (4-ethoxycarbonyl-1H-pyrazol-5-yl)sulfonyl-[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanide Openeye Name: (4-ethoxycarbonyl-1H-pyrazol-5-yl)sulfonyl-[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanide CAS Name: (4-ethoxycarbonyl-1H-pyrazol-5-yl)sulfonyl-[(2S)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]azanide IUPAC Name: (4-ethoxycarbonyl-1H-pyrazol-5-yl)sulfonyl-[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanide Traditional Name: (4-carbethoxy-1H-pyrazol-5-yl)sulfonyl-[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanide Formula: C15H26N4O4S MolecularWeight: 358.45634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)[N-]CC(C)[NH+]2CCCCC2C

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)[N-]C[C@H](C)[NH+]2CCCC[C@@H]2C

InChI

InChI=1S/C15H25N4O4S/c1-4-23-15(20)13-10-16-18-14(13)24(21,22)17-9-12(3)19-8-6-5-7-11(19)2/h10-12H,4-9H2,1-3H3,(H,16,18,20)/q-1/p+1/t11-,12-/m0/s1