[1-(6-ethoxy-4-methyl-quinazolin-2-yl)piperidin-4-yl]-[(1S)-1-phenyl-2-pyrazol-1-yl-ethyl]azanium

Systemtic Name: [1-(6-ethoxy-4-methyl-quinazolin-2-yl)piperidin-4-yl]-[(1S)-1-phenyl-2-pyrazol-1-yl-ethyl]azanium Openeye Name: [1-(6-ethoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]-[(1S)-1-phenyl-2-pyrazol-1-yl-ethyl]ammonium CAS Name: [1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-piperidinyl]-[(1S)-1-phenyl-2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [1-(6-ethoxy-4-methylquinazolin-2-yl)piperidin-4-yl]-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]azanium Traditional Name: [1-(6-ethoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]-[(1S)-1-phenyl-2-pyrazol-1-yl-ethyl]ammonium Formula: C27H33N6O+ MolecularWeight: 457.59052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)[NH2+]C(CN4C=CC=N4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)[NH2+][C@H](CN4C=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N6O/c1-3-34-23-10-11-25-24(18-23)20(2)29-27(31-25)32-16-12-22(13-17-32)30-26(19-33-15-7-14-28-33)21-8-5-4-6-9-21/h4-11,14-15,18,22,26,30H,3,12-13,16-17,19H2,1-2H3/p+1/t26-/m1/s1