1-[1-(2-azanylethyl)pyridin-1-ium-2-yl]-6-phenylazanyl-7-oxabicyclo[4.1.0]hepta-2,4-diene-5-carboxamide

Systemtic Name: 1-[1-(2-azanylethyl)pyridin-1-ium-2-yl]-6-phenylazanyl-7-oxabicyclo[4.1.0]hepta-2,4-diene-5-carboxamide Openeye Name: 1-[1-(2-aminoethyl)pyridin-1-ium-2-yl]-6-anilino-7-oxabicyclo[4.1.0]hepta-2,4-diene-5-carboxamide CAS Name: 1-[1-(2-aminoethyl)-2-pyridin-1-iumyl]-6-anilino-7-oxabicyclo[4.1.0]hepta-2,4-diene-5-carboxamide IUPAC Name: 1-[1-(2-aminoethyl)pyridin-1-ium-2-yl]-6-anilino-7-oxabicyclo[4.1.0]hepta-2,4-diene-5-carboxamide Traditional Name: 1-[1-(2-aminoethyl)pyridin-1-ium-2-yl]-6-anilino-7-oxabicyclo[4.1.0]hepta-2,4-diene-5-carboxamide Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC23C(=CC=CC2(O3)C4=CC=CC=[N+]4CCN)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)NC23C(=CC=CC2(O3)C4=CC=CC=[N+]4CCN)C(=O)N

InChI

InChI=1S/C20H20N4O2/c21-12-14-24-13-5-4-10-17(24)19-11-6-9-16(18(22)25)20(19,26-19)23-15-7-2-1-3-8-15/h1-11,13,23H,12,14,21H2,(H-,22,25)/p+1