disodium (Z)-2-methyl-3-(piperidin-1-ylmethyl)but-2-enedioate

Systemtic Name: disodium (Z)-2-methyl-3-(piperidin-1-ylmethyl)but-2-enedioate Openeye Name: disodium (Z)-2-methyl-3-(1-piperidylmethyl)but-2-enedioate CAS Name: disodium (Z)-2-methyl-3-(1-piperidinylmethyl)-2-butenedioate IUPAC Name: disodium (Z)-2-methyl-3-(piperidin-1-ylmethyl)but-2-enedioate Traditional Name: disodium (Z)-2-methyl-3-(piperidinomethyl)but-2-enedioate Formula: C11H15NNa2O4 MolecularWeight: 271.22064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CN1CCCCC1)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C/C(=C(\CN1CCCCC1)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C11H17NO4.2Na/c1-8(10(13)14)9(11(15)16)7-12-5-3-2-4-6-12;;/h2-7H2,1H3,(H,13,14)(H,15,16);;/q;2*+1/p-2/b9-8-;;