(3R)-1-[2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[[(2R)-5-ethoxy-2-methyl-coumaran-6-yl]methylamino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@H](O2)C)CNC(=O)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C20H29N3O4/c1-3-26-17-8-15-7-13(2)27-18(15)9-16(17)10-22-19(24)12-23-6-4-5-14(11-23)20(21)25/h8-9,13-14H,3-7,10-12H2,1-2H3,(H2,21,25)(H,22,24)/p+1/t13-,14-/m1/s1