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

Systemtic Name: 3-[2-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]ethyl]quinazolin-4-one Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)CN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C26H31N5O2/c1-20-7-2-5-11-24(20)29-15-13-28(14-16-29)21-8-6-12-30(17-21)25(32)18-31-19-27-23-10-4-3-9-22(23)26(31)33/h2-5,7,9-11,19,21H,6,8,12-18H2,1H3/p+1/t21-/m0/s1