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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N3CCCCCC3

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N3CCCCCC3

InChI

InChI=1S/C19H26N4O2/c1-2-22(14-18(24)23-11-7-3-4-8-12-23)13-17-20-16-10-6-5-9-15(16)19(25)21-17/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H,20,21,25)/p+1