2-[[4-(3-chloranyl-5-methoxy-4-propoxy-phenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(3-chloranyl-5-methoxy-4-propoxy-phenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(3-chloro-5-methoxy-4-propoxy-benzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(3-chloro-5-methoxy-4-propoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3-chloro-5-methoxy-4-propoxybenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(3-chloro-5-methoxy-4-propoxy-benzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C24H28ClN4O4+ MolecularWeight: 471.95652

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)OC

InChI

InChI=1S/C24H27ClN4O4/c1-3-12-33-22-18(25)13-16(14-20(22)32-2)24(31)29-10-8-28(9-11-29)15-21-26-19-7-5-4-6-17(19)23(30)27-21/h4-7,13-14H,3,8-12,15H2,1-2H3,(H,26,27,30)/p+1