2-(3,4-dimethoxyphenyl)ethyl-[(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]azanium Traditional Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-homoveratryl-ammonium Formula: C25H32FN4O2+ MolecularWeight: 439.545583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)[NH2+]CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@@H](CC3)[NH2+]CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H31FN4O2/c1-17-21-16-19(26)7-8-22(21)29-25(28-17)30-13-4-5-20(11-14-30)27-12-10-18-6-9-23(31-2)24(15-18)32-3/h6-9,15-16,20,27H,4-5,10-14H2,1-3H3/p+1/t20-/m0/s1