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

Systemtic Name: 2-[[4-(3-ethoxy-4-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(3-ethoxy-4-methoxy-benzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(3-ethoxy-4-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(3-ethoxy-4-methoxy-benzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)OC

InChI

InChI=1S/C23H26N4O4/c1-3-31-20-14-16(8-9-19(20)30-2)23(29)27-12-10-26(11-13-27)15-21-24-18-7-5-4-6-17(18)22(28)25-21/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,25,28)/p+1