dimethyl 3-methyl-5-[2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-[4-(m-tolylmethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[4-[(3-methylphenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[4-(3-methylbenzyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C23H30N3O5S+ MolecularWeight: 460.5664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC(=O)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC(=O)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C23H29N3O5S/c1-15-6-5-7-17(12-15)13-25-8-10-26(11-9-25)14-18(27)24-21-19(22(28)30-3)16(2)20(32-21)23(29)31-4/h5-7,12H,8-11,13-14H2,1-4H3,(H,24,27)/p+1