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

Systemtic Name: (2S)-2-chloranyl-2-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-2-phenyl-ethanone CAS Name: (2S)-2-chloro-2-phenyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-2-phenylethanone Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-2-phenyl-ethanone Formula: C19H22ClN2O+ MolecularWeight: 329.84378

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O/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/p+1/t18-/m0/s1