(7S)-3-cyclohexyl-7-phenyl-3,4,4a,6,7,8-hexahydro-2H-quinazolin-3-ium-5-one

Systemtic Name: (7S)-3-cyclohexyl-7-phenyl-3,4,4a,6,7,8-hexahydro-2H-quinazolin-3-ium-5-one Openeye Name: (7S)-3-cyclohexyl-7-phenyl-3,4,4a,6,7,8-hexahydro-2H-quinazolin-3-ium-5-one CAS Name: (7S)-3-cyclohexyl-7-phenyl-3,4,4a,6,7,8-hexahydro-2H-quinazolin-3-ium-5-one IUPAC Name: (7S)-3-cyclohexyl-7-phenyl-3,4,4a,6,7,8-hexahydro-2H-quinazolin-3-ium-5-one Traditional Name: (7S)-3-cyclohexyl-7-phenyl-3,4,4a,6,7,8-hexahydro-2H-quinazolin-3-ium-5-one Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CC3C(=NC2)CC(CC3=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CC3C(=NC2)C[C@@H](CC3=O)C4=CC=CC=C4

InChI

InChI=1S/C20H26N2O/c23-20-12-16(15-7-3-1-4-8-15)11-19-18(20)13-22(14-21-19)17-9-5-2-6-10-17/h1,3-4,7-8,16-18H,2,5-6,9-14H2/p+1/t16-,18?/m0/s1