2-[[4-[(2R)-2-(4-methylphenoxy)propanoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[(2R)-2-(4-methylphenoxy)propanoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(2R)-2-(4-methylphenoxy)propanoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(2R)-2-(4-methylphenoxy)-1-oxopropyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(2R)-2-(4-methylphenoxy)propanoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[(2R)-2-(4-methylphenoxy)propanoyl]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:

CC1=CC=C(C=C1)OC(C)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)O[C@H](C)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H26N4O3/c1-16-7-9-18(10-8-16)30-17(2)23(29)27-13-11-26(12-14-27)15-21-24-20-6-4-3-5-19(20)22(28)25-21/h3-10,17H,11-15H2,1-2H3,(H,24,25,28)/p+1/t17-/m1/s1