3-(3-imidazol-1-ylpropyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(3-imidazol-1-ylpropyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(3-imidazol-1-ylpropyl)-2-isopropylsulfanyl-5,6,7,8-tetrahydro-4aH-quinazolin-3-ium-4-one CAS Name: 3-[3-(1-imidazolyl)propyl]-2-(propan-2-ylthio)-5,6,7,8-tetrahydro-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(3-imidazol-1-ylpropyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(3-imidazol-1-ylpropyl)-2-(isopropylthio)-5,6,7,8-tetrahydro-4aH-quinazolin-3-ium-4-one Formula: C17H25N4OS+ MolecularWeight: 333.4716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=[N+](C(=O)C2CCCCC2=N1)CCCN3C=CN=C3

Isomeric SMILES

CC(C)SC1=[N+](C(=O)C2CCCCC2=N1)CCCN3C=CN=C3

InChI

InChI=1S/C17H25N4OS/c1-13(2)23-17-19-15-7-4-3-6-14(15)16(22)21(17)10-5-9-20-11-8-18-12-20/h8,11-14H,3-7,9-10H2,1-2H3/q+1