2-chloranyl-2-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone chloride

Systemtic Name: 2-chloranyl-2-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone chloride Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-2-phenyl-ethanone chloride CAS Name: 2-chloro-2-phenyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone chloride IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-2-phenylethanone chloride Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-2-phenyl-ethanone chloride Formula: C19H22Cl2N2O MolecularWeight: 365.29678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O.ClH/c20-18(17-9-5-2-6-10-17)19(23)22-13-11-21(12-14-22)15-16-7-3-1-4-8-16;/h1-10,18H,11-15H2;1H