propan-2-yl 2-[2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(3-vinylbenzimidazol-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3-ethenyl-1-benzimidazol-1-iumyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(3-ethenylbenzimidazol-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-vinylbenzimidazol-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[N+]3=CN(C4=CC=CC=C43)C=C

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[N+]3=CN(C4=CC=CC=C43)C=C

InChI

InChI=1S/C23H25N3O3S/c1-4-25-14-26(18-11-7-6-10-17(18)25)13-20(27)24-22-21(23(28)29-15(2)3)16-9-5-8-12-19(16)30-22/h4,6-7,10-11,14-15H,1,5,8-9,12-13H2,2-3H3/p+1