(3,5-dimethoxyphenyl)methyl-[(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]azanium

Systemtic Name: (3,5-dimethoxyphenyl)methyl-[(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]azanium Openeye Name: (3,5-dimethoxyphenyl)methyl-[(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium CAS Name: (3,5-dimethoxyphenyl)methyl-[(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]ammonium IUPAC Name: (3,5-dimethoxyphenyl)methyl-[(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]azanium Traditional Name: (3,5-dimethoxybenzyl)-[(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium Formula: C24H30FN4O2+ MolecularWeight: 425.519003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)[NH2+]CC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@@H](CC3)[NH2+]CC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C24H29FN4O2/c1-16-22-13-18(25)6-7-23(22)28-24(27-16)29-9-4-5-19(8-10-29)26-15-17-11-20(30-2)14-21(12-17)31-3/h6-7,11-14,19,26H,4-5,8-10,15H2,1-3H3/p+1/t19-/m0/s1