6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methylcarbamoyl]pyridazin-3-olate

Systemtic Name: 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methylcarbamoyl]pyridazin-3-olate Openeye Name: 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methylcarbamoyl]pyridazin-3-olate CAS Name: 6-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methylamino]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methylcarbamoyl]pyridazin-3-olate Traditional Name: 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methylcarbamoyl]pyridazin-3-olate Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC=[NH+]3)CNC(=O)C4=NN=C(C=C4)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC=[NH+]3)CNC(=O)C4=NN=C(C=C4)[O-]

InChI

InChI=1S/C20H19N5O2/c26-18-8-7-17(23-24-18)20(27)22-12-15-6-3-10-21-19(15)25-11-9-14-4-1-2-5-16(14)13-25/h1-8,10H,9,11-13H2,(H,22,27)(H,24,26)