2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-(4-chlorobenzyl)oxy-3-methoxy-benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C25H31ClN3O4+ MolecularWeight: 472.98434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)OCC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H30ClN3O4/c1-32-23-16-20(6-9-22(23)33-18-19-4-7-21(26)8-5-19)25(31)29-14-12-27(13-15-29)17-24(30)28-10-2-3-11-28/h4-9,16H,2-3,10-15,17-18H2,1H3/p+1