4,7,7-trimethyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6,8-dihydroquinazolin-5-one

Systemtic Name: 4,7,7-trimethyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6,8-dihydroquinazolin-5-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one CAS Name: 4,7,7-trimethyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-6,8-dihydroquinazolin-5-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CC(C2)(C)C)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)CC(C2)(C)C)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O/c1-16-20-18(13-22(2,3)14-19(20)27)24-21(23-16)26-11-9-25(10-12-26)15-17-7-5-4-6-8-17/h4-8H,9-15H2,1-3H3/p+1