(2S)-3-phenoxy-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-propan-1-one

Systemtic Name: (2S)-3-phenoxy-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-propan-1-one Openeye Name: (2S)-3-phenoxy-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-propan-1-one CAS Name: (2S)-3-phenoxy-1-(1-piperazinyl)-2-(1-pyrrolidin-1-iumyl)-1-propanone IUPAC Name: (2S)-3-phenoxy-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-ylpropan-1-one Traditional Name: (2S)-3-phenoxy-1-piperazino-2-pyrrolidin-1-ium-1-yl-propan-1-one Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(COC2=CC=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](COC2=CC=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C17H25N3O2/c21-17(20-12-8-18-9-13-20)16(19-10-4-5-11-19)14-22-15-6-2-1-3-7-15/h1-3,6-7,16,18H,4-5,8-14H2/p+1/t16-/m0/s1