2-methyl-3-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]quinazolin-4-one

Systemtic Name: 2-methyl-3-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 2-methyl-3-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 2-methyl-3-[4-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]phenyl]-4-quinazolinone IUPAC Name: 2-methyl-3-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 2-methyl-3-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]quinazolin-4-one Formula: C28H29N4O3+ MolecularWeight: 469.55486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CCOC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CCOC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c1-21-29-26-10-6-5-9-25(26)28(34)32(21)23-13-11-22(12-14-23)27(33)31-17-15-30(16-18-31)19-20-35-24-7-3-2-4-8-24/h2-14H,15-20H2,1H3/p+1