1-[5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylthiophen-2-yl]ethanone

Systemtic Name: 1-[5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylthiophen-2-yl]ethanone Openeye Name: 1-[5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-thienyl]ethanone CAS Name: 1-[5-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-thiophenyl]ethanone IUPAC Name: 1-[5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]thiophen-2-yl]ethanone Traditional Name: 1-[5-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]-2-thienyl]ethanone Formula: C18H20ClN2O2S+ MolecularWeight: 363.8816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClN2O2S/c1-13(22)16-5-6-17(24-16)18(23)21-9-7-20(8-10-21)12-14-3-2-4-15(19)11-14/h2-6,11H,7-10,12H2,1H3/p+1