[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-methyl-(3-morpholin-4-ylpropyl)azanium

Systemtic Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-methyl-(3-morpholinopropyl)ammonium CAS Name: [(4S)-1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-azepanyl]-methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: [(4S)-1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-yl]-methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-methyl-(3-morpholinopropyl)ammonium Formula: C25H40N5O2+ MolecularWeight: 442.6174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(CC3)[NH+](C)CCCN4CCOCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[C@@H](CC3)[NH+](C)CCCN4CCOCC4

InChI

InChI=1S/C25H39N5O2/c1-4-32-22-8-9-24-23(19-22)20(2)26-25(27-24)30-13-5-7-21(10-14-30)28(3)11-6-12-29-15-17-31-18-16-29/h8-9,19,21H,4-7,10-18H2,1-3H3/p+1/t21-/m0/s1