2-[4-[(4-fluoranyl-3-methoxy-phenyl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline

Systemtic Name: 2-[4-[(4-fluoranyl-3-methoxy-phenyl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline Openeye Name: 2-[4-[(4-fluoro-3-methoxy-phenyl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline CAS Name: 2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethylquinazoline IUPAC Name: 2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethylquinazoline Traditional Name: 2-[4-(4-fluoro-3-methoxy-benzyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline Formula: C24H30FN4O+ MolecularWeight: 409.519603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=CC(=C(C=C4)F)OC)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=CC(=C(C=C4)F)OC)C)C

InChI

InChI=1S/C24H29FN4O/c1-16-12-20-18(3)26-24(27-22(20)13-17(16)2)29-9-5-8-28(10-11-29)15-19-6-7-21(25)23(14-19)30-4/h6-7,12-14H,5,8-11,15H2,1-4H3/p+1