disodium 1-[(E)-3-(3-methoxy-4-oxidanidyl-phenyl)prop-2-enoyl]-4-methyl-piperidine-4-carboxylate

Systemtic Name: disodium 1-[(E)-3-(3-methoxy-4-oxidanidyl-phenyl)prop-2-enoyl]-4-methyl-piperidine-4-carboxylate Openeye Name: disodium 1-[(E)-3-(3-methoxy-4-oxido-phenyl)prop-2-enoyl]-4-methyl-piperidine-4-carboxylate CAS Name: disodium 1-[(E)-3-(3-methoxy-4-oxidophenyl)-1-oxoprop-2-enyl]-4-methyl-4-piperidinecarboxylate IUPAC Name: disodium 1-[(E)-3-(3-methoxy-4-oxidophenyl)prop-2-enoyl]-4-methylpiperidine-4-carboxylate Traditional Name: disodium 1-[(E)-3-(3-methoxy-4-oxido-phenyl)acryloyl]-4-methyl-isonipecotate Formula: C17H19NNa2O5 MolecularWeight: 363.316

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)[O-])OC)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1(CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)[O-])OC)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H21NO5.2Na/c1-17(16(21)22)7-9-18(10-8-17)15(20)6-4-12-3-5-13(19)14(11-12)23-2;;/h3-6,11,19H,7-10H2,1-2H3,(H,21,22);;/q;2*+1/p-2/b6-4+;;