N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(dimethylamino)pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(dimethylamino)pyridin-1-ium-3-carboxamide Openeye Name: N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(dimethylamino)pyridin-1-ium-3-carboxamide CAS Name: N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(dimethylamino)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(dimethylamino)pyridin-1-ium-3-carboxamide Traditional Name: N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(dimethylamino)pyridin-1-ium-3-carboxamide Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=[NH+]C=C(C=C1)C(=O)NCCC2COC3=CC=CC=C3O2

Isomeric SMILES

CN(C)C1=[NH+]C=C(C=C1)C(=O)NCC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H21N3O3/c1-21(2)17-8-7-13(11-20-17)18(22)19-10-9-14-12-23-15-5-3-4-6-16(15)24-14/h3-8,11,14H,9-10,12H2,1-2H3,(H,19,22)/p+1/t14-/m0/s1