2-(3,5-dimethylpyrazol-1-yl)ethyl-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]azanium

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]azanium Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)ethyl-[(4S)-1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-azepanyl]ammonium IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[(4S)-1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-yl]azanium Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium Formula: C24H35N6O+ MolecularWeight: 423.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(CC3)[NH2+]CCN4C(=CC(=N4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[C@@H](CC3)[NH2+]CCN4C(=CC(=N4)C)C

InChI

InChI=1S/C24H34N6O/c1-5-31-21-8-9-23-22(16-21)19(4)26-24(27-23)29-12-6-7-20(10-13-29)25-11-14-30-18(3)15-17(2)28-30/h8-9,15-16,20,25H,5-7,10-14H2,1-4H3/p+1/t20-/m0/s1