1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]-3-pyrrolyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]ethanone Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)C2=CC=CC=C2)C)C(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H29N3O2/c1-16-14-21(18(3)25(16)17(2)20-8-6-5-7-9-20)22(27)15-23-10-12-24(13-11-23)19(4)26/h5-9,14,17H,10-13,15H2,1-4H3/p+1/t17-/m1/s1