4,7,7-trimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one

Systemtic Name: 4,7,7-trimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one Openeye Name: 4,7,7-trimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one CAS Name: 4,7,7-trimethyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-6,8-dihydroquinazolin-5-one IUPAC Name: 4,7,7-trimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one Traditional Name: 4,7,7-trimethyl-2-(4-pyridin-1-ium-2-ylpiperazino)-6,8-dihydroquinazolin-5-one Formula: C20H26N5O+ MolecularWeight: 352.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CC(C2)(C)C)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)CC(C2)(C)C)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H25N5O/c1-14-18-15(12-20(2,3)13-16(18)26)23-19(22-14)25-10-8-24(9-11-25)17-6-4-5-7-21-17/h4-7H,8-13H2,1-3H3/p+1