[1-(6-ethoxy-4-methyl-quinazolin-2-yl)piperidin-4-yl]-[(3-phenyl-1H-pyrazol-5-yl)methyl]azanium

Systemtic Name: [1-(6-ethoxy-4-methyl-quinazolin-2-yl)piperidin-4-yl]-[(3-phenyl-1H-pyrazol-5-yl)methyl]azanium Openeye Name: [1-(6-ethoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]-[(3-phenyl-1H-pyrazol-5-yl)methyl]ammonium CAS Name: [1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-piperidinyl]-[(3-phenyl-1H-pyrazol-5-yl)methyl]ammonium IUPAC Name: [1-(6-ethoxy-4-methylquinazolin-2-yl)piperidin-4-yl]-[(3-phenyl-1H-pyrazol-5-yl)methyl]azanium Traditional Name: [1-(6-ethoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]-[(3-phenyl-1H-pyrazol-5-yl)methyl]ammonium Formula: C26H31N6O+ MolecularWeight: 443.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)[NH2+]CC4=CC(=NN4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)[NH2+]CC4=CC(=NN4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N6O/c1-3-33-22-9-10-24-23(16-22)18(2)28-26(29-24)32-13-11-20(12-14-32)27-17-21-15-25(31-30-21)19-7-5-4-6-8-19/h4-10,15-16,20,27H,3,11-14,17H2,1-2H3,(H,30,31)/p+1