2-[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)C

InChI

InChI=1S/C23H30N4O2/c1-18-5-6-19(2)27(18)21-9-7-20(8-10-21)23(29)26-15-13-24(14-16-26)17-22(28)25-11-3-4-12-25/h5-10H,3-4,11-17H2,1-2H3/p+1