3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide

Systemtic Name: 3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide Openeye Name: 3-(8-methyl-4-oxo-quinazolin-3-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide CAS Name: 3-(8-methyl-4-oxo-3-quinazolinyl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]propanamide IUPAC Name: 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide Traditional Name: 3-(4-keto-8-methyl-quinazolin-3-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propionamide Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2/c1-19-6-5-9-21-23(19)26-18-29(24(21)31)12-10-22(30)25-11-13-27-14-16-28(17-15-27)20-7-3-2-4-8-20/h2-9,18H,10-17H2,1H3,(H,25,30)/p+1