6-[(4-chlorophenyl)methylsulfanyl]-3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium

Systemtic Name: 6-[(4-chlorophenyl)methylsulfanyl]-3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium Openeye Name: 6-[(4-chlorophenyl)methylsulfanyl]-3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium CAS Name: 6-[(4-chlorophenyl)methylthio]-3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium IUPAC Name: 6-[(4-chlorophenyl)methylsulfanyl]-3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium Traditional Name: 6-[(4-chlorobenzyl)thio]-3-(3-methoxypropyl)-2,4-dihydro-1H-s-triazin-5-ium Formula: C14H21ClN3OS+ MolecularWeight: 314.85404

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1CNC(=[NH+]C1)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

COCCCN1CNC(=[NH+]C1)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H20ClN3OS/c1-19-8-2-7-18-10-16-14(17-11-18)20-9-12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3,(H,16,17)/p+1