3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C24H28N5OS+ MolecularWeight: 434.57702

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)CN4C(=S)N(C=N4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)CN4C(=S)N(C=N4)C5=CC=CC=C5

InChI

InChI=1S/C24H27N5OS/c30-23(27-15-12-19-6-4-5-7-21(19)16-27)20-10-13-26(14-11-20)18-29-24(31)28(17-25-29)22-8-2-1-3-9-22/h1-9,17,20H,10-16,18H2/p+1