3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C16H22N5S+ MolecularWeight: 316.44438

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NNC1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H21N5S/c1-2-8-21-15(17-18-16(21)22)13-19-9-11-20(12-10-19)14-6-4-3-5-7-14/h2-7H,1,8-13H2,(H,18,22)/p+1