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

Systemtic Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-(3-pyridin-3-ylpropyl)azanium Openeye Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-[3-(3-pyridyl)propyl]ammonium CAS Name: [(4S)-1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-azepanyl]-[3-(3-pyridinyl)propyl]ammonium IUPAC Name: [(4S)-1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-yl]-(3-pyridin-3-ylpropyl)azanium Traditional Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-[3-(3-pyridyl)propyl]ammonium Formula: C25H34N5O+ MolecularWeight: 420.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(CC3)[NH2+]CCCC4=CN=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[C@@H](CC3)[NH2+]CCCC4=CN=CC=C4

InChI

InChI=1S/C25H33N5O/c1-3-31-22-10-11-24-23(17-22)19(2)28-25(29-24)30-15-6-9-21(12-16-30)27-14-5-8-20-7-4-13-26-18-20/h4,7,10-11,13,17-18,21,27H,3,5-6,8-9,12,14-16H2,1-2H3/p+1/t21-/m0/s1