3-cyclopentyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1H-quinazoline-2,4-dione

Systemtic Name: 3-cyclopentyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1H-quinazoline-2,4-dione Openeye Name: 3-cyclopentyl-7-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione CAS Name: 3-cyclopentyl-7-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-cyclopentyl-7-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione Traditional Name: 3-cyclopentyl-7-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-quinone Formula: C23H26N5O3+ MolecularWeight: 420.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)NC2=O

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)NC2=O

InChI

InChI=1S/C23H25N5O3/c29-21(27-13-11-26(12-14-27)20-7-3-4-10-24-20)16-8-9-18-19(15-16)25-23(31)28(22(18)30)17-5-1-2-6-17/h3-4,7-10,15,17H,1-2,5-6,11-14H2,(H,25,31)/p+1