7-chloranyl-5-(2-chlorophenyl)-1-(2-dimethylaminoethyl)-1-oxidanidyl-3H-1,4-benzodiazepin-1-ium-2-one hydrate

Systemtic Name: 7-chloranyl-5-(2-chlorophenyl)-1-(2-dimethylaminoethyl)-1-oxidanidyl-3H-1,4-benzodiazepin-1-ium-2-one hydrate Openeye Name: 7-chloro-5-(2-chlorophenyl)-1-(2-dimethylaminoethyl)-1-oxido-3H-1,4-benzodiazepin-1-ium-2-one hydrate CAS Name: 7-chloro-5-(2-chlorophenyl)-1-(2-dimethylaminoethyl)-1-oxido-3H-1,4-benzodiazepin-1-ium-2-one hydrate IUPAC Name: 7-chloro-5-(2-chlorophenyl)-1-(2-dimethylaminoethyl)-1-oxido-3H-1,4-benzodiazepin-1-ium-2-one hydrate Traditional Name: 7-chloro-5-(2-chlorophenyl)-1-(2-dimethylaminoethyl)-1-oxido-3H-1,4-benzodiazepin-1-ium-2-one hydrate Formula: C19H21Cl2N3O3 MolecularWeight: 410.29434

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[N+]1(C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3Cl)[O-].O

Isomeric SMILES

CN(C)CC[N+]1(C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3Cl)[O-].O

InChI

InChI=1S/C19H19Cl2N3O2.H2O/c1-23(2)9-10-24(26)17-8-7-13(20)11-15(17)19(22-12-18(24)25)14-5-3-4-6-16(14)21;/h3-8,11H,9-10,12H2,1-2H3;1H2