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

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H28N2O3/c1-25(24(27)19-8-9-22-23(15-19)29-12-11-28-22)20-7-4-10-26(16-20)21-13-17-5-2-3-6-18(17)14-21/h2-3,5-6,8-9,15,20-21H,4,7,10-14,16H2,1H3/p+1/t20-/m0/s1