(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2S)-2-phenyl-1-pyrrolidino-2-(4-veratrylpiperazin-1-ium-1-yl)ethanone Formula: C25H34N3O3+ MolecularWeight: 424.55576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)N4CCCC4)OC

InChI

InChI=1S/C25H33N3O3/c1-30-22-11-10-20(18-23(22)31-2)19-26-14-16-27(17-15-26)24(21-8-4-3-5-9-21)25(29)28-12-6-7-13-28/h3-5,8-11,18,24H,6-7,12-17,19H2,1-2H3/p+1/t24-/m0/s1