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

Systemtic Name: 6-(cyclopropylamino)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-(cyclopropylamino)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridin-1-ium-3-carboxamide CAS Name: 6-(cyclopropylamino)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(cyclopropylamino)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-(cyclopropylamino)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridin-1-ium-3-carboxamide Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=[NH+]C=C(C=C2)C(=O)NCCC3COC4=CC=CC=C4O3

Isomeric SMILES

C1CC1NC2=[NH+]C=C(C=C2)C(=O)NCC[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H21N3O3/c23-19(13-5-8-18(21-11-13)22-14-6-7-14)20-10-9-15-12-24-16-3-1-2-4-17(16)25-15/h1-5,8,11,14-15H,6-7,9-10,12H2,(H,20,23)(H,21,22)/p+1/t15-/m1/s1