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

Systemtic Name: butyl-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: butyl-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: butyl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: butyl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: butyl-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C23H31N5O2/c1-3-4-14-28(15-20-25-19-11-7-6-10-18(19)22(30)26-20)16-21(29)27(2)23(17-24)12-8-5-9-13-23/h6-7,10-11H,3-5,8-9,12-16H2,1-2H3,(H,25,26,30)/p+1