4-methyl-2-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)-6-nitro-phenolate

Systemtic Name: 4-methyl-2-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)-6-nitro-phenolate Openeye Name: 4-methyl-2-[5-methyl-2-(1-piperidyl)thiazol-4-yl]-6-nitro-phenolate CAS Name: 4-methyl-2-[5-methyl-2-(1-piperidinyl)-4-thiazolyl]-6-nitrophenolate IUPAC Name: 4-methyl-2-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)-6-nitrophenolate Traditional Name: 4-methyl-2-(5-methyl-2-piperidino-thiazol-4-yl)-6-nitro-phenolate Formula: C16H18N3O3S- MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=C(SC(=N2)N3CCCCC3)C)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=C(SC(=N2)N3CCCCC3)C)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3S/c1-10-8-12(15(20)13(9-10)19(21)22)14-11(2)23-16(17-14)18-6-4-3-5-7-18/h8-9,20H,3-7H2,1-2H3/p-1