(5-chloranylthiophen-2-yl)methyl-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-methyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-methyl-ammonium Formula: C17H23ClN4OS+2 MolecularWeight: 366.90872

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(S1)Cl)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[NH+](CC1=CC=C(S1)Cl)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H21ClN4OS/c1-20(12-14-5-6-15(18)24-14)13-17(23)22-10-8-21(9-11-22)16-4-2-3-7-19-16/h2-7H,8-13H2,1H3/p+2