methyl 3-azanyl-4-piperazin-4-ium-1-yl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-piperazin-4-ium-1-yl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-amino-4-piperazin-4-ium-1-yl-benzothiophene-2-carboxylate CAS Name: 3-amino-4-(1-piperazin-4-iumyl)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-piperazin-4-ium-1-yl-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-4-piperazin-4-ium-1-yl-benzothiophene-2-carboxylic acid methyl ester Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC=C2S1)N3CC[NH2+]CC3)N

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC=C2S1)N3CC[NH2+]CC3)N

InChI

InChI=1S/C14H17N3O2S/c1-19-14(18)13-12(15)11-9(3-2-4-10(11)20-13)17-7-5-16-6-8-17/h2-4,16H,5-8,15H2,1H3/p+1