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

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C21H29ClN3O+ MolecularWeight: 374.92746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H28ClN3O/c1-15(2)25-16(3)12-20(17(25)4)21(26)14-23-8-10-24(11-9-23)19-7-5-6-18(22)13-19/h5-7,12-13,15H,8-11,14H2,1-4H3/p+1