2-phenyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-phenyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-phenyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]ethanone CAS Name: 2-phenyl-1-[(2S)-2-(1-piperazin-4-iumylmethyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-phenyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-phenyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidino]ethanone Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC2=CC=CC=C2)CN3CC[NH2+]CC3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CC2=CC=CC=C2)CN3CC[NH2+]CC3

InChI

InChI=1S/C17H25N3O/c21-17(13-15-5-2-1-3-6-15)20-10-4-7-16(20)14-19-11-8-18-9-12-19/h1-3,5-6,16,18H,4,7-14H2/p+1/t16-/m0/s1