[1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] pyridine-4-carboxylate

Systemtic Name: [1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] pyridine-4-carboxylate Openeye Name: [1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)C4=CC=NC=C4)C)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)C4=CC=NC=C4)C)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-12-3-4-15-14(9-12)20-18(26-15)22(24)11-21(2)10-16(22)25-17(23)13-5-7-19-8-6-13/h3-9,16H,10-11H2,1-2H3