1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-3-pyrrolyl]-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C[C@H]2CCCO2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H31N3O2/c1-18-15-22(19(2)26(18)16-21-9-6-14-28-21)23(27)17-24-10-12-25(13-11-24)20-7-4-3-5-8-20/h3-5,7-8,15,21H,6,9-14,16-17H2,1-2H3/p+1/t21-/m1/s1