3-[3-(2-methylimidazol-1-yl)propyl]-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-[3-(2-methylimidazol-1-yl)propyl]-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-4aH-quinazolin-3-ium-4-one Openeye Name: 2-isopropylsulfanyl-3-[3-(2-methylimidazol-1-yl)propyl]-5,6,7,8-tetrahydro-4aH-quinazolin-3-ium-4-one CAS Name: 3-[3-(2-methyl-1-imidazolyl)propyl]-2-(propan-2-ylthio)-5,6,7,8-tetrahydro-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-[3-(2-methylimidazol-1-yl)propyl]-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-4aH-quinazolin-3-ium-4-one Traditional Name: 2-(isopropylthio)-3-[3-(2-methylimidazol-1-yl)propyl]-5,6,7,8-tetrahydro-4aH-quinazolin-3-ium-4-one Formula: C18H27N4OS+ MolecularWeight: 347.49818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCC[N+]2=C(N=C3CCCCC3C2=O)SC(C)C

Isomeric SMILES

CC1=NC=CN1CCC[N+]2=C(N=C3CCCCC3C2=O)SC(C)C

InChI

InChI=1S/C18H27N4OS/c1-13(2)24-18-20-16-8-5-4-7-15(16)17(23)22(18)11-6-10-21-12-9-19-14(21)3/h9,12-13,15H,4-8,10-11H2,1-3H3/q+1