3-methyl-2-[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 3-methyl-2-[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 3-methyl-2-[3-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]quinazolin-4-one CAS Name: 3-methyl-2-[3-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 3-methyl-2-[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 2-[3-keto-3-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]propyl]-3-methyl-quinazolin-4-one Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C24H28N4O2/c1-18-6-5-7-19(16-18)17-27-12-14-28(15-13-27)23(29)11-10-22-25-21-9-4-3-8-20(21)24(30)26(22)2/h3-9,16H,10-15,17H2,1-2H3/p+1