[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-phenyl-methanone

Systemtic Name: [2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-phenyl-methanone Openeye Name: [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenyl-methanone CAS Name: [2-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone Traditional Name: [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenyl-methanone Formula: C23H22ClN2O2S+ MolecularWeight: 425.95098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21ClN2O2S/c24-21-11-10-18(29-21)16-25-12-14-26(15-13-25)23(28)20-9-5-4-8-19(20)22(27)17-6-2-1-3-7-17/h1-11H,12-16H2/p+1