5-methyl-2-phenyl-4-(piperidin-1-ium-1-ylmethylidene)pyrazole-3-thione

Systemtic Name: 5-methyl-2-phenyl-4-(piperidin-1-ium-1-ylmethylidene)pyrazole-3-thione Openeye Name: 5-methyl-2-phenyl-4-(piperidin-1-ium-1-ylmethylene)pyrazole-3-thione CAS Name: 5-methyl-2-phenyl-4-(1-piperidin-1-iumylmethylidene)-3-pyrazolethione IUPAC Name: 5-methyl-2-phenyl-4-(piperidin-1-ium-1-ylmethylidene)pyrazole-3-thione Traditional Name: 5-methyl-2-phenyl-4-(piperidin-1-ium-1-ylmethylene)-2-pyrazoline-3-thione Formula: C16H20N3S+ MolecularWeight: 286.4151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)C1=C[NH+]2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=S)C1=C[NH+]2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C16H19N3S/c1-13-15(12-18-10-6-3-7-11-18)16(20)19(17-13)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3/p+1