N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H30N2O3/c1-3-28-23-14-20-13-17(2)29-22(20)15-21(23)25-24(27)19-9-7-18(8-10-19)16-26-11-5-4-6-12-26/h7-10,14-15,17H,3-6,11-13,16H2,1-2H3,(H,25,27)/p+1/t17-/m0/s1