2-(2-chlorophenyl)-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-4-thione

Systemtic Name: 2-(2-chlorophenyl)-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-4-thione Openeye Name: 2-(2-chlorophenyl)-1-(3-pyridylmethyl)-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-4-thione CAS Name: 2-(2-chlorophenyl)-1-(3-pyridinylmethyl)-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-4-thione IUPAC Name: 2-(2-chlorophenyl)-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-4-thione Traditional Name: 2-(2-chlorophenyl)-1-(3-pyridylmethyl)-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-4-thione Formula: C20H19ClN3S+ MolecularWeight: 368.90296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](C(=NC(=S)C2C1)C3=CC=CC=C3Cl)CC4=CN=CC=C4

Isomeric SMILES

C1CCC2=[N+](C(=NC(=S)C2C1)C3=CC=CC=C3Cl)CC4=CN=CC=C4

InChI

InChI=1S/C20H19ClN3S/c21-17-9-3-1-7-15(17)19-23-20(25)16-8-2-4-10-18(16)24(19)13-14-6-5-11-22-12-14/h1,3,5-7,9,11-12,16H,2,4,8,10,13H2/q+1