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

Systemtic Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-(2-pyridin-3-yloxyethyl)azanium Openeye Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-[2-(3-pyridyloxy)ethyl]ammonium CAS Name: [(4S)-1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-azepanyl]-[2-(3-pyridinyloxy)ethyl]ammonium IUPAC Name: [(4S)-1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-yl]-(2-pyridin-3-yloxyethyl)azanium Traditional Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-[2-(3-pyridyloxy)ethyl]ammonium Formula: C24H32N5O2+ MolecularWeight: 422.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(CC3)[NH2+]CCOC4=CN=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[C@@H](CC3)[NH2+]CCOC4=CN=CC=C4

InChI

InChI=1S/C24H31N5O2/c1-3-30-20-8-9-23-22(16-20)18(2)27-24(28-23)29-13-5-6-19(10-14-29)26-12-15-31-21-7-4-11-25-17-21/h4,7-9,11,16-17,19,26H,3,5-6,10,12-15H2,1-2H3/p+1/t19-/m0/s1