1-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylamino]-2-keto-ethyl]piperidin-1-ium-4-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+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H29N3O4/c1-3-26-17-9-15-8-13(2)27-18(15)10-16(17)11-22-19(24)12-23-6-4-14(5-7-23)20(21)25/h9-10,13-14H,3-8,11-12H2,1-2H3,(H2,21,25)(H,22,24)/p+1/t13-/m0/s1