N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H28N2O3/c1-24(23(26)19-9-10-21-22(16-19)28-15-14-27-21)20-8-5-12-25(17-20)13-11-18-6-3-2-4-7-18/h2-4,6-7,9-10,16,20H,5,8,11-15,17H2,1H3/p+1/t20-/m0/s1