5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-phenyl-2-(1-piperidin-1-iumylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C17H23N4S+ MolecularWeight: 315.45632

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4S/c1-2-11-20-16(15-9-5-3-6-10-15)18-21(17(20)22)14-19-12-7-4-8-13-19/h2-3,5-6,9-10H,1,4,7-8,11-14H2/p+1