7-chloranyl-1-(2-diethylaminoethyl)-5-(2-fluorophenyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one

Systemtic Name: 7-chloranyl-1-(2-diethylaminoethyl)-5-(2-fluorophenyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one Openeye Name: 7-chloro-1-(2-diethylaminoethyl)-5-(2-fluorophenyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one CAS Name: 7-chloro-1-(2-diethylaminoethyl)-5-(2-fluorophenyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one IUPAC Name: 7-chloro-1-(2-diethylaminoethyl)-5-(2-fluorophenyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one Traditional Name: 7-chloro-1-(2-diethylaminoethyl)-5-(2-fluorophenyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one Formula: C21H24ClFN3O+ MolecularWeight: 388.886163

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1=C2C=CC(=CC2=C(NCC1=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CCN(CC)CC[N+]1=C2C=CC(=CC2=C(NCC1=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3/p+1