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

Systemtic Name: methyl 2-azanyl-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-amino-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]thiazole-5-carboxylate CAS Name: 2-amino-4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-thiazole-5-carboxylate Traditional Name: 2-amino-4-(4-piperonylpiperazin-4-ium-1-yl)thiazole-5-carboxylic acid methyl ester Formula: C17H21N4O4S+ MolecularWeight: 377.43804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(S1)N)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=C(N=C(S1)N)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H20N4O4S/c1-23-16(22)14-15(19-17(18)26-14)21-6-4-20(5-7-21)9-11-2-3-12-13(8-11)25-10-24-12/h2-3,8H,4-7,9-10H2,1H3,(H2,18,19)/p+1