methyl N-[4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]carbamate

Systemtic Name: methyl N-[4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]carbamate Openeye Name: methyl N-[4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thiazol-2-yl]carbamate CAS Name: N-[4-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-2-thiazolyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]carbamate Traditional Name: N-[4-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thiazol-2-yl]carbamic acid methyl ester Formula: C16H20N5O3S+ MolecularWeight: 362.4267

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC(=CS1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC(=O)NC1=NC(=CS1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H19N5O3S/c1-24-16(23)19-15-18-12(11-25-15)10-14(22)21-8-6-20(7-9-21)13-4-2-3-5-17-13/h2-5,11H,6-10H2,1H3,(H,18,19,23)/p+1