1-oxidanylidene-2-(piperidin-1-ium-4-ylcarbonylamino)isoquinoline-4-carboxylate

Systemtic Name: 1-oxidanylidene-2-(piperidin-1-ium-4-ylcarbonylamino)isoquinoline-4-carboxylate Openeye Name: 1-oxo-2-(piperidin-1-ium-4-carbonylamino)isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[[oxo(4-piperidin-1-iumyl)methyl]amino]-4-isoquinolinecarboxylate IUPAC Name: 1-oxo-2-(piperidin-1-ium-4-carbonylamino)isoquinoline-4-carboxylate Traditional Name: 1-keto-2-(piperidin-1-ium-4-carbonylamino)isoquinoline-4-carboxylate Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)[O-]

Isomeric SMILES

C1C[NH2+]CCC1C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)[O-]

InChI

InChI=1S/C16H17N3O4/c20-14(10-5-7-17-8-6-10)18-19-9-13(16(22)23)11-3-1-2-4-12(11)15(19)21/h1-4,9-10,17H,5-8H2,(H,18,20)(H,22,23)