(3R)-3-ethyl-4-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-ethyl-4-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-ethyl-4-[[4-(p-tolylmethylamino)quinazolin-2-yl]methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-ethyl-4-[[4-[(4-methylphenyl)methylamino]-2-quinazolinyl]methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-ethyl-4-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-ethyl-4-[[4-[(4-methylbenzyl)amino]quinazolin-2-yl]methyl]piperazin-4-ium-2-one Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)C

Isomeric SMILES

CC[C@@H]1C(=O)NCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)C

InChI

InChI=1S/C23H27N5O/c1-3-20-23(29)24-12-13-28(20)15-21-26-19-7-5-4-6-18(19)22(27-21)25-14-17-10-8-16(2)9-11-17/h4-11,20H,3,12-15H2,1-2H3,(H,24,29)(H,25,26,27)/p+1/t20-/m1/s1