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

Systemtic Name: (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2S)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2S)-2-(4-o-phenetylpiperazin-1-ium-1-yl)-2-phenyl-1-pyrrolidino-ethanone Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C24H31N3O2/c1-2-29-22-13-7-6-12-21(22)25-16-18-26(19-17-25)23(20-10-4-3-5-11-20)24(28)27-14-8-9-15-27/h3-7,10-13,23H,2,8-9,14-19H2,1H3/p+1/t23-/m0/s1