2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C20H27ClN3O+ MolecularWeight: 360.90088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C20H26ClN3O/c1-4-24-15(2)12-19(16(24)3)20(25)14-22-8-10-23(11-9-22)18-7-5-6-17(21)13-18/h5-7,12-13H,4,8-11,14H2,1-3H3/p+1