4-[4-(aminomethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-1,3-dihydroquinoxalin-4-ium-2-one

Systemtic Name: 4-[4-(aminomethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-1,3-dihydroquinoxalin-4-ium-2-one Openeye Name: 4-[4-(aminomethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-1,3-dihydroquinoxalin-4-ium-2-one CAS Name: 4-[4-(aminomethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-1,3-dihydroquinoxalin-4-ium-2-one IUPAC Name: 4-[4-(aminomethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-1,3-dihydroquinoxalin-4-ium-2-one Traditional Name: 4-[4-(aminomethyl)-2,5-dimethyl-3-pyrazolin-3-ylidene]-1,3-dihydroquinoxalin-4-ium-2-one Formula: C14H18N5O+ MolecularWeight: 272.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+]2CC(=O)NC3=CC=CC=C32)N(N1)C)CN

Isomeric SMILES

CC1=C(C(=[N+]2CC(=O)NC3=CC=CC=C32)N(N1)C)CN

InChI

InChI=1S/C14H17N5O/c1-9-10(7-15)14(18(2)17-9)19-8-13(20)16-11-5-3-4-6-12(11)19/h3-6H,7-8,15H2,1-2H3,(H,16,20)/p+1