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

Systemtic Name: [1-(aminomethyl)-5-(4-fluorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenyl-methanone Openeye Name: [1-(aminomethyl)-5-(4-fluorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenyl-methanone CAS Name: [1-(aminomethyl)-5-(4-fluorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenylmethanone IUPAC Name: [1-(aminomethyl)-5-(4-fluorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenylmethanone Traditional Name: [1-(aminomethyl)-5-(4-fluorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenyl-methanone Formula: C25H25FN3O2+ MolecularWeight: 418.483303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25FN3O2/c1-29(16-27)22-14-20(31-2)12-13-21(22)24(17-8-10-19(26)11-9-17)28-15-23(29)25(30)18-6-4-3-5-7-18/h3-14,23H,15-16,27H2,1-2H3/q+1