2-[(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)carbonyl]quinazolin-4-olate

Systemtic Name: 2-[(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)carbonyl]quinazolin-4-olate Openeye Name: 2-(4-cyclohexyl-1,4-diazepan-4-ium-1-carbonyl)quinazolin-4-olate CAS Name: 2-[(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-4-quinazolinolate IUPAC Name: 2-(4-cyclohexyl-1,4-diazepan-4-ium-1-carbonyl)quinazolin-4-olate Traditional Name: 2-(4-cyclohexyl-1,4-diazepan-4-ium-1-carbonyl)quinazolin-4-olate Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=NC4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=NC4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C20H26N4O2/c25-19-16-9-4-5-10-17(16)21-18(22-19)20(26)24-12-6-11-23(13-14-24)15-7-2-1-3-8-15/h4-5,9-10,15H,1-3,6-8,11-14H2,(H,21,22,25)