ethyl 2-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-thioxo-thiazol-4-yl]acetate CAS Name: 2-[3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-sulfanylidene-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-thiazol-4-yl]acetate Traditional Name: 2-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-thioxo-4-thiazolin-4-yl]acetic acid ethyl ester Formula: C17H24N4O2S2+2 MolecularWeight: 380.52806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=S)N1C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCOC(=O)CC1=CSC(=S)N1C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H22N4O2S2/c1-2-23-16(22)11-14-12-25-17(24)21(14)13-19-7-9-20(10-8-19)15-5-3-4-6-18-15/h3-6,12H,2,7-11,13H2,1H3/p+2