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

Systemtic Name: (2S)-2-(2-ethoxyphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: (2S)-2-(2-ethoxyphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: (2S)-2-(2-ethoxyphenyl)-1-(1-piperazinyl)-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: (2S)-2-(2-ethoxyphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: (2S)-2-o-phenetyl-1-piperazino-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C(=O)N2CCNCC2)[NH+]3CCCC3

Isomeric SMILES

CCOC1=CC=CC=C1[C@@H](C(=O)N2CCNCC2)[NH+]3CCCC3

InChI

InChI=1S/C18H27N3O2/c1-2-23-16-8-4-3-7-15(16)17(20-11-5-6-12-20)18(22)21-13-9-19-10-14-21/h3-4,7-8,17,19H,2,5-6,9-14H2,1H3/p+1/t17-/m0/s1