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

Systemtic Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(4S)-1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-azepanyl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(4S)-1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-yl]-(2-pyridin-2-ylethyl)azanium Traditional Name: [(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]-[2-(2-pyridyl)ethyl]ammonium Formula: C24H32N5O+ MolecularWeight: 406.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(CC3)[NH2+]CCC4=CC=CC=N4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[C@@H](CC3)[NH2+]CCC4=CC=CC=N4

InChI

InChI=1S/C24H31N5O/c1-3-30-21-9-10-23-22(17-21)18(2)27-24(28-23)29-15-6-8-20(12-16-29)26-14-11-19-7-4-5-13-25-19/h4-5,7,9-10,13,17,20,26H,3,6,8,11-12,14-16H2,1-2H3/p+1/t20-/m0/s1