2-[[4-(4-propoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(4-propoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-propoxybenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-propoxybenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-propoxybenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H26N4O3/c1-2-15-30-18-9-7-17(8-10-18)23(29)27-13-11-26(12-14-27)16-21-24-20-6-4-3-5-19(20)22(28)25-21/h3-10H,2,11-16H2,1H3,(H,24,25,28)/p+1