methyl 3-[5-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-2-yl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[5-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-2-yl]thiophene-2-carboxylate Openeye Name: methyl 3-[5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2-furyl]thiophene-2-carboxylate CAS Name: 3-[5-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-furanyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-2-yl]thiophene-2-carboxylate Traditional Name: 3-[5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2-furyl]thiophene-2-carboxylic acid methyl ester Formula: C21H23N2O3S+ MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)C2=CC=C(O2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)C2=CC=C(O2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3S/c1-25-21(24)20-18(9-14-27-20)19-8-7-17(26-19)15-22-10-12-23(13-11-22)16-5-3-2-4-6-16/h2-9,14H,10-13,15H2,1H3/p+1