methyl 2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(m-tolyl)piperazin-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=CC(=CC=C1)N2CC[NH+](CC2)CC3=C(C=CO3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3=C(C=CO3)C(=O)OC

InChI

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