[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-butyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-butyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-butyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N4O2/c1-2-3-8-29(15-22-26-21-7-5-4-6-20(21)24(31)27-22)16-23(30)28-25-12-17-9-18(13-25)11-19(10-17)14-25/h4-7,17-19H,2-3,8-16H2,1H3,(H,28,30)(H,26,27,31)/p+1