(2S)-2-(2-methoxyphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: (2S)-2-(2-methoxyphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: (2S)-2-(2-methoxyphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: (2S)-2-(2-methoxyphenyl)-1-(1-piperazinyl)-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: (2S)-2-(2-methoxyphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: (2S)-2-(2-methoxyphenyl)-1-piperazino-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C(=O)N2CCNCC2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@@H](C(=O)N2CCNCC2)[NH+]3CCCC3

InChI

InChI=1S/C17H25N3O2/c1-22-15-7-3-2-6-14(15)16(19-10-4-5-11-19)17(21)20-12-8-18-9-13-20/h2-3,6-7,16,18H,4-5,8-13H2,1H3/p+1/t16-/m0/s1