6-chloranyl-2-[[4-(2-cyclopentylethanoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[4-(2-cyclopentylethanoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[4-(2-cyclopentyl-1-oxoethyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C20H26ClN4O2+ MolecularWeight: 389.89904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

C1CCC(C1)CC(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C20H25ClN4O2/c21-15-5-6-17-16(12-15)20(27)23-18(22-17)13-24-7-9-25(10-8-24)19(26)11-14-3-1-2-4-14/h5-6,12,14H,1-4,7-11,13H2,(H,22,23,27)/p+1