4-[[6-[4-(aminomethyl)phenyl]-2-methyl-2-oxidanidyl-1H-pyridazin-2-ium-4-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[6-[4-(aminomethyl)phenyl]-2-methyl-2-oxidanidyl-1H-pyridazin-2-ium-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[6-[4-(aminomethyl)phenyl]-2-methyl-2-oxido-1H-pyridazin-2-ium-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[6-[4-(aminomethyl)phenyl]-2-methyl-2-oxido-1H-pyridazin-2-ium-4-yl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[6-[4-(aminomethyl)phenyl]-2-methyl-2-oxido-1H-pyridazin-2-ium-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[6-[4-(aminomethyl)phenyl]-2-methyl-2-oxido-1H-pyridazin-2-ium-4-carbonyl]amino]cyclohexanecarboxylic acid Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C=C(N1)C2=CC=C(C=C2)CN)C(=O)NC3CCC(CC3)C(=O)O)[O-]

Isomeric SMILES

C[N+]1(C=C(C=C(N1)C2=CC=C(C=C2)CN)C(=O)NC3CCC(CC3)C(=O)O)[O-]

InChI

InChI=1S/C20H26N4O4/c1-24(28)12-16(10-18(23-24)14-4-2-13(11-21)3-5-14)19(25)22-17-8-6-15(7-9-17)20(26)27/h2-5,10,12,15,17,23H,6-9,11,21H2,1H3,(H,22,25)(H,26,27)