2-[3-[(4-methyl-5-pyridin-3-yl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[3-[(4-methyl-5-pyridin-3-yl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3-[[4-methyl-5-(3-pyridyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3-[[4-methyl-5-(3-pyridinyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]propyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3-[(4-methyl-5-pyridin-3-yl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-[[4-methyl-5-(3-pyridyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]propyl]-3,4-dihydro-1H-isoquinoline Formula: C20H24N5S+ MolecularWeight: 366.50306

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NN=C1SCCCN2CCC3=CC=CC=C3C2)C4=CN=CC=C4

Isomeric SMILES

C[N+]1=C(NN=C1SCCCN2CCC3=CC=CC=C3C2)C4=CN=CC=C4

InChI

InChI=1S/C20H23N5S/c1-24-19(17-8-4-10-21-14-17)22-23-20(24)26-13-5-11-25-12-9-16-6-2-3-7-18(16)15-25/h2-4,6-8,10,14H,5,9,11-13,15H2,1H3/p+1