[1-(aminomethyl)-8-fluoranyl-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenyl-methanone

Systemtic Name: [1-(aminomethyl)-8-fluoranyl-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenyl-methanone Openeye Name: [1-(aminomethyl)-8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenyl-methanone CAS Name: [1-(aminomethyl)-8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenylmethanone IUPAC Name: [1-(aminomethyl)-8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenylmethanone Traditional Name: [1-(aminomethyl)-8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenyl-methanone Formula: C24H23FN3O+ MolecularWeight: 388.457323

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(CN=C(C2=C1C=C(C=C2)F)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)CN

Isomeric SMILES

C[N+]1(C(CN=C(C2=C1C=C(C=C2)F)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)CN

InChI

InChI=1S/C24H23FN3O/c1-28(16-26)21-14-19(25)12-13-20(21)23(17-8-4-2-5-9-17)27-15-22(28)24(29)18-10-6-3-7-11-18/h2-14,22H,15-16,26H2,1H3/q+1