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

Systemtic Name: methyl 2-methyl-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylic acid methyl ester Formula: C21H29N2O5S+ MolecularWeight: 421.53036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(O3)C)C(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(O3)C)C(=O)OC

InChI

InChI=1S/C21H28N2O5S/c1-4-5-17-6-8-19(9-7-17)29(25,26)23-12-10-22(11-13-23)15-18-14-20(16(2)28-18)21(24)27-3/h6-9,14H,4-5,10-13,15H2,1-3H3/p+1