ethyl 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2,5-dimethoxybenzyl)piperazin-1-ium-1-yl]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H32N3O5S2+ MolecularWeight: 530.67938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+]3CCN(CC3)CC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+]3CCN(CC3)CC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C26H31N3O5S2/c1-4-34-26(31)24-20(22-6-5-13-35-22)17-36-25(24)27-23(30)16-29-11-9-28(10-12-29)15-18-14-19(32-2)7-8-21(18)33-3/h5-8,13-14,17H,4,9-12,15-16H2,1-3H3,(H,27,30)/p+1