N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[[(1S)-isochroman-1-yl]methyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-3-methoxy-4-[(1-methyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[[(1S)-isochroman-1-yl]methyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NCC3C4=CC=CC=C4CCO3)OC

Isomeric SMILES

C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NC[C@@H]3C4=CC=CC=C4CCO3)OC

InChI

InChI=1S/C24H30N2O4/c1-26-12-9-19(10-13-26)30-21-8-7-18(15-22(21)28-2)24(27)25-16-23-20-6-4-3-5-17(20)11-14-29-23/h3-8,15,19,23H,9-14,16H2,1-2H3,(H,25,27)/p+1/t23-/m1/s1