[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]azanium

Systemtic Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]azanium Openeye Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]ammonium CAS Name: [(4S)-1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-azepanyl]-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]ammonium IUPAC Name: [(4S)-1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-yl]-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]azanium Traditional Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]ammonium Formula: C23H33N6O+ MolecularWeight: 409.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(CC3)[NH+](C)CC4=NNC(=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[C@@H](CC3)[NH+](C)CC4=NNC(=C4)C

InChI

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