1-[4-[[4-[ethyl(2-methylprop-2-enyl)amino]quinazolin-2-yl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[4-[ethyl(2-methylprop-2-enyl)amino]quinazolin-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[4-[ethyl(2-methylallyl)amino]quinazolin-2-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[4-[ethyl(2-methylprop-2-enyl)amino]-2-quinazolinyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[4-[ethyl(2-methylprop-2-enyl)amino]quinazolin-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[4-[ethyl(2-methylallyl)amino]quinazolin-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C1=NC(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CCN(CC(=C)C)C1=NC(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H29N5O/c1-5-25(14-16(2)3)21-18-8-6-7-9-19(18)22-20(23-21)15-24-10-12-26(13-11-24)17(4)27/h6-9H,2,5,10-15H2,1,3-4H3/p+1