methyl 4-[(R)-(2-acetamido-4,5-dimethyl-thiophen-3-yl)-(4-ethylpiperazin-4-ium-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(R)-(2-acetamido-4,5-dimethyl-thiophen-3-yl)-(4-ethylpiperazin-4-ium-1-yl)methyl]benzoate Openeye Name: methyl 4-[(R)-(2-acetamido-4,5-dimethyl-3-thienyl)-(4-ethylpiperazin-4-ium-1-yl)methyl]benzoate CAS Name: 4-[(R)-(2-acetamido-4,5-dimethyl-3-thiophenyl)-(4-ethyl-1-piperazin-4-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(R)-(2-acetamido-4,5-dimethylthiophen-3-yl)-(4-ethylpiperazin-4-ium-1-yl)methyl]benzoate Traditional Name: 4-[(R)-(2-acetamido-4,5-dimethyl-3-thienyl)-(4-ethylpiperazin-4-ium-1-yl)methyl]benzoic acid methyl ester Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C2=CC=C(C=C2)C(=O)OC)C3=C(SC(=C3C)C)NC(=O)C

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C2=CC=C(C=C2)C(=O)OC)C3=C(SC(=C3C)C)NC(=O)C

InChI

InChI=1S/C23H31N3O3S/c1-6-25-11-13-26(14-12-25)21(18-7-9-19(10-8-18)23(28)29-5)20-15(2)16(3)30-22(20)24-17(4)27/h7-10,21H,6,11-14H2,1-5H3,(H,24,27)/p+1/t21-/m1/s1