methyl 2-azanyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-azanyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-amino-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thiazole-5-carboxylate CAS Name: 2-amino-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate Traditional Name: 2-amino-4-(4-pyridin-1-ium-2-ylpiperazino)thiazole-5-carboxylic acid methyl ester Formula: C14H18N5O2S+ MolecularWeight: 320.39002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(S1)N)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC(=O)C1=C(N=C(S1)N)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C14H17N5O2S/c1-21-13(20)11-12(17-14(15)22-11)19-8-6-18(7-9-19)10-4-2-3-5-16-10/h2-5H,6-9H2,1H3,(H2,15,17)/p+1