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

Systemtic Name: 2-methyl-3-[4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 2-methyl-3-[4-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 2-methyl-3-[4-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]phenyl]-4-quinazolinone IUPAC Name: 2-methyl-3-[4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 3-[4-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-methyl-quinazolin-4-one Formula: C27H32N5O3+ MolecularWeight: 474.57468

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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)CC(=O)N5CCCCC5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC(=O)N5CCCCC5

InChI

InChI=1S/C27H31N5O3/c1-20-28-24-8-4-3-7-23(24)27(35)32(20)22-11-9-21(10-12-22)26(34)31-17-15-29(16-18-31)19-25(33)30-13-5-2-6-14-30/h3-4,7-12H,2,5-6,13-19H2,1H3/p+1