N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H21N3O3/c23-19(15-5-3-8-20-18(15)22-9-1-2-10-22)21-14-6-7-16-17(13-14)25-12-4-11-24-16/h3,5-8,13H,1-2,4,9-12H2,(H,21,23)/p+1