[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-[(1-ethylpyrazol-4-yl)methyl]azanium

Systemtic Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-[(1-ethylpyrazol-4-yl)methyl]azanium Openeye Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-[(1-ethylpyrazol-4-yl)methyl]ammonium CAS Name: [(4S)-1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-azepanyl]-[(1-ethyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(4S)-1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-yl]-[(1-ethylpyrazol-4-yl)methyl]azanium Traditional Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-[(1-ethylpyrazol-4-yl)methyl]ammonium Formula: C23H33N6O+ MolecularWeight: 409.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH2+]C2CCCN(CC2)C3=NC4=C(C=C(C=C4)OCC)C(=N3)C

Isomeric SMILES

CCN1C=C(C=N1)C[NH2+][C@H]2CCCN(CC2)C3=NC4=C(C=C(C=C4)OCC)C(=N3)C

InChI

InChI=1S/C23H32N6O/c1-4-29-16-18(15-25-29)14-24-19-7-6-11-28(12-10-19)23-26-17(3)21-13-20(30-5-2)8-9-22(21)27-23/h8-9,13,15-16,19,24H,4-7,10-12,14H2,1-3H3/p+1/t19-/m0/s1