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

Systemtic Name: N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(pyridin-2-ylmethylamino)pyridin-1-ium-3-carboxamide Openeye Name: N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(2-pyridylmethylamino)pyridin-1-ium-3-carboxamide CAS Name: N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(2-pyridinylmethylamino)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(pyridin-2-ylmethylamino)pyridin-1-ium-3-carboxamide Traditional Name: N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(2-pyridylmethylamino)pyridin-1-ium-3-carboxamide Formula: C22H23N4O3+ MolecularWeight: 391.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CCNC(=O)C3=C[NH+]=C(C=C3)NCC4=CC=CC=N4

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)CCNC(=O)C3=C[NH+]=C(C=C3)NCC4=CC=CC=N4

InChI

InChI=1S/C22H22N4O3/c27-22(24-12-10-18-15-28-19-6-1-2-7-20(19)29-18)16-8-9-21(25-13-16)26-14-17-5-3-4-11-23-17/h1-9,11,13,18H,10,12,14-15H2,(H,24,27)(H,25,26)/p+1/t18-/m1/s1