[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-phenoxyphenyl)methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-phenoxyphenyl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-phenoxyphenyl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(3-phenoxyphenyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-phenoxyphenyl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(3-phenoxyphenyl)methanone Formula: C24H24ClN2O2+ MolecularWeight: 407.91256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H23ClN2O2/c25-21-8-4-6-19(16-21)18-26-12-14-27(15-13-26)24(28)20-7-5-11-23(17-20)29-22-9-2-1-3-10-22/h1-11,16-17H,12-15,18H2/p+1