ethyl 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate chloride hydrochloride

Systemtic Name: ethyl 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate chloride hydrochloride Openeye Name: ethyl 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzofuran-2-carboxylate chloride hydrochloride CAS Name: 3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-benzofurancarboxylic acid ethyl ester chloride hydrochloride IUPAC Name: ethyl 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate chloride hydrochloride Traditional Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]coumarilic acid ethyl ester chloride hydrochloride Formula: C22H26Cl2N2O3 MolecularWeight: 437.35944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCN(CC3)C4=CC=CC=C4.Cl.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCN(CC3)C4=CC=CC=C4.Cl.[Cl-]

InChI

InChI=1S/C22H24N2O3.2ClH/c1-2-26-22(25)21-19(18-10-6-7-11-20(18)27-21)16-23-12-14-24(15-13-23)17-8-4-3-5-9-17;;/h3-11H,2,12-16H2,1H3;2*1H