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

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Traditional Name: 2-[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Formula: C19H25ClN3O+ MolecularWeight: 346.8743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H24ClN3O/c1-14-11-18(15(2)21-14)19(24)13-23-9-7-22(8-10-23)12-16-3-5-17(20)6-4-16/h3-6,11,21H,7-10,12-13H2,1-2H3/p+1