2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]-1-(4-phenylpiperazino)ethanone Formula: C21H28ClN4OS+ MolecularWeight: 419.99122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C21H27ClN4OS/c22-20-7-6-19(28-20)16-23-8-10-24(11-9-23)17-21(27)26-14-12-25(13-15-26)18-4-2-1-3-5-18/h1-7H,8-17H2/p+1