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

Systemtic Name: [1-(6-ethoxy-4-methyl-quinazolin-2-yl)piperidin-4-yl]-[2-(1-phenylpyrazol-4-yl)ethyl]azanium Openeye Name: [1-(6-ethoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]-[2-(1-phenylpyrazol-4-yl)ethyl]ammonium CAS Name: [1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-piperidinyl]-[2-(1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [1-(6-ethoxy-4-methylquinazolin-2-yl)piperidin-4-yl]-[2-(1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: [1-(6-ethoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]-[2-(1-phenylpyrazol-4-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+]CCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)[NH2+]CCC4=CN(N=C4)C5=CC=CC=C5

InChI

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