1-azabicyclo[2.2.0]hexane; [3-(3,4-dichlorophenyl)-4-oxidanylidene-2-(phenylmethyl)-3-propyl-piperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone

Systemtic Name: 1-azabicyclo[2.2.0]hexane; [3-(3,4-dichlorophenyl)-4-oxidanylidene-2-(phenylmethyl)-3-propyl-piperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone Openeye Name: 1-azabicyclo[2.2.0]hexane; [2-benzyl-3-(3,4-dichlorophenyl)-4-oxo-3-propyl-piperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone CAS Name: 1-azabicyclo[2.2.0]hexane; [3-(3,4-dichlorophenyl)-4-oxo-2-(phenylmethyl)-3-propyl-1-piperazin-4-iumyl]-(3,5-dimethylphenyl)methanone IUPAC Name: 1-azabicyclo[2.2.0]hexane; [2-benzyl-3-(3,4-dichlorophenyl)-4-oxo-3-propylpiperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: 1-azabicyclo[2.2.0]hexane; [2-benzyl-3-(3,4-dichlorophenyl)-4-keto-3-propyl-piperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone Formula: C34H40Cl2N3O2+ MolecularWeight: 593.6063

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(N(CC[N+]1=O)C(=O)C2=CC(=CC(=C2)C)C)CC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl.C1CN2C1CC2

Isomeric SMILES

CCCC1(C(N(CC[N+]1=O)C(=O)C2=CC(=CC(=C2)C)C)CC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl.C1CN2C1CC2

InChI

InChI=1S/C29H31Cl2N2O2.C5H9N/c1-4-12-29(24-10-11-25(30)26(31)19-24)27(18-22-8-6-5-7-9-22)32(13-14-33(29)35)28(34)23-16-20(2)15-21(3)17-23;1-3-6-4-2-5(1)6/h5-11,15-17,19,27H,4,12-14,18H2,1-3H3;5H,1-4H2/q+1;