(4-chlorophenyl)-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone

Systemtic Name: (4-chlorophenyl)-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone Openeye Name: (4-chlorophenyl)-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone CAS Name: (4-chlorophenyl)-[(2S)-2-(1-piperazin-4-iumylmethyl)-1-pyrrolidinyl]methanone IUPAC Name: (4-chlorophenyl)-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone Traditional Name: (4-chlorophenyl)-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidino]methanone Formula: C16H23ClN3O+ MolecularWeight: 308.82632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)Cl)CN3CC[NH2+]CC3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)Cl)CN3CC[NH2+]CC3

InChI

InChI=1S/C16H22ClN3O/c17-14-5-3-13(4-6-14)16(21)20-9-1-2-15(20)12-19-10-7-18-8-11-19/h3-6,15,18H,1-2,7-12H2/p+1/t15-/m0/s1