2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide Formula: C25H31N2O4+ MolecularWeight: 423.52464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C)C(=O)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N(C)C(=O)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H30N2O4/c1-18(19-6-4-3-5-7-19)26(2)24(28)17-27-12-10-20(11-13-27)25(29)21-8-9-22-23(16-21)31-15-14-30-22/h3-9,16,18,20H,10-15,17H2,1-2H3/p+1/t18-/m0/s1