(2S)-2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2S)-2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2S)-2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidino-ethanone Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)C(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H26ClN3O2/c24-20-11-5-4-10-19(20)22(28)27-16-14-25(15-17-27)21(18-8-2-1-3-9-18)23(29)26-12-6-7-13-26/h1-5,8-11,21H,6-7,12-17H2/p+1/t21-/m0/s1