(E)-4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoylamino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-oxomethyl]amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoylamino]but-2-enoate Formula: C14H23N3O4 MolecularWeight: 297.35012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)NC(=O)C=CC(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)NC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C14H23N3O4/c1-11-5-2-3-9-17(11)10-4-8-15-14(21)16-12(18)6-7-13(19)20/h6-7,11H,2-5,8-10H2,1H3,(H,19,20)(H2,15,16,18,21)/b7-6+/t11-/m0/s1