[5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-furyl]methyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=C(O3)COC(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=C(O3)COC(=O)C)C

InChI

InChI=1S/C20H26N2O3/c1-15-5-4-6-20(16(15)2)22-11-9-21(10-12-22)13-18-7-8-19(25-18)14-24-17(3)23/h4-8H,9-14H2,1-3H3/p+1