6-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(cyclopropylmethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium

Systemtic Name: 6-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(cyclopropylmethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium Openeye Name: 6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(cyclopropylmethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium CAS Name: 6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(cyclopropylmethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium IUPAC Name: 6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(cyclopropylmethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium Traditional Name: 6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(cyclopropylmethyl)-1,2,3,4-tetrahydro-s-triazin-3-ium Formula: C16H21ClN3O2S+ MolecularWeight: 354.87484

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C[NH+]2CNC(=NC2)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1CC1C[NH+]2CNC(=NC2)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C16H20ClN3O2S/c17-14-3-12-6-21-10-22-15(12)13(4-14)7-23-16-18-8-20(9-19-16)5-11-1-2-11/h3-4,11H,1-2,5-10H2,(H,18,19)/p+1