sodium 1-[(5-azanyl-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]piperidine-4-carboxylate

Systemtic Name: sodium 1-[(5-azanyl-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]piperidine-4-carboxylate Openeye Name: sodium 1-[(5-amino-2,4,6,7-tetramethyl-3H-benzofuran-2-yl)methyl]piperidine-4-carboxylate CAS Name: sodium 1-[(5-amino-2,4,6,7-tetramethyl-3H-benzofuran-2-yl)methyl]-4-piperidinecarboxylate IUPAC Name: sodium 1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]piperidine-4-carboxylate Traditional Name: sodium 1-[(5-amino-2,4,6,7-tetramethyl-coumaran-2-yl)methyl]isonipecotate Formula: C19H27N2NaO3 MolecularWeight: 354.41905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CC(OC2=C1C)(C)CN3CCC(CC3)C(=O)[O-])C)N.[Na+]

Isomeric SMILES

CC1=C(C(=C2CC(OC2=C1C)(C)CN3CCC(CC3)C(=O)[O-])C)N.[Na+]

InChI

InChI=1S/C19H28N2O3.Na/c1-11-12(2)17-15(13(3)16(11)20)9-19(4,24-17)10-21-7-5-14(6-8-21)18(22)23;/h14H,5-10,20H2,1-4H3,(H,22,23);/q;+1/p-1