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

Systemtic Name: methyl 2-methyl-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-3-carboxylate CAS Name: 2-methyl-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]furan-3-carboxylic acid methyl ester Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH+]2CCN(CC2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH+]2CCN(CC2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H22N2O3/c1-14-17(18(21)22-2)12-16(23-14)13-19-8-10-20(11-9-19)15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3/p+1