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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N6O/c1-4-28(16-17-30-14-7-12-25-30)20-8-6-13-29(15-11-20)24-26-19(3)22-18-21(31-5-2)9-10-23(22)27-24/h7,9-10,12,14,18,20H,4-6,8,11,13,15-17H2,1-3H3/p+1/t20-/m0/s1