N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[[(1S)-isochroman-1-yl]methyl]-3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-benzamide CAS Name: N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-4-methoxy-3-[(1-propan-2-yl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[[(1S)-isochroman-1-yl]methyl]-3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-benzamide Formula: C26H35N2O4+ MolecularWeight: 439.5671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4/c1-18(2)28-13-10-21(11-14-28)32-24-16-20(8-9-23(24)30-3)26(29)27-17-25-22-7-5-4-6-19(22)12-15-31-25/h4-9,16,18,21,25H,10-15,17H2,1-3H3,(H,27,29)/p+1/t25-/m1/s1