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

Systemtic Name: [2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3(CCCCCC3)C#N

Isomeric SMILES

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3(CCCCCC3)C#N

InChI

InChI=1S/C20H25N5O2/c1-25(12-17-22-16-9-5-4-8-15(16)19(27)23-17)13-18(26)24-20(14-21)10-6-2-3-7-11-20/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,24,26)(H,22,23,27)/p+1