methyl 4-azanyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-azanyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-amino-2-(4-benzylpiperazin-4-ium-1-yl)thiazole-5-carboxylate CAS Name: 4-amino-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-2-(4-benzylpiperazin-4-ium-1-yl)-1,3-thiazole-5-carboxylate Traditional Name: 4-amino-2-(4-benzylpiperazin-4-ium-1-yl)thiazole-5-carboxylic acid methyl ester Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(S1)N2CC[NH+](CC2)CC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=C(N=C(S1)N2CC[NH+](CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C16H20N4O2S/c1-22-15(21)13-14(17)18-16(23-13)20-9-7-19(8-10-20)11-12-5-3-2-4-6-12/h2-6H,7-11,17H2,1H3/p+1