2-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H28N4O2/c26-20-17-7-3-4-8-18(17)22-19(23-20)15-24-13-9-16(10-14-24)21(27)25-11-5-1-2-6-12-25/h3-4,7-8,16H,1-2,5-6,9-15H2,(H,22,23,26)/p+1