ethyl 1-(1H-benzimidazol-2-ylamino)-3-(thiophen-2-ylmethyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: ethyl 1-(1H-benzimidazol-2-ylamino)-3-(thiophen-2-ylmethyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: ethyl 1-(1H-benzimidazol-2-ylamino)-3-(2-thienylmethyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylamino)-3-(thiophen-2-ylmethyl)-1-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-benzimidazol-2-ylamino)-3-(thiophen-2-ylmethyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylamino)-3-(2-thenyl)pyrrolidin-1-ium-1-carboxylic acid ethyl ester Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCC(C1)CC2=CC=CS2)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)[N+]1(CCC(C1)CC2=CC=CS2)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H23N4O2S/c1-2-25-19(24)23(10-9-14(13-23)12-15-6-5-11-26-15)22-18-20-16-7-3-4-8-17(16)21-18/h3-8,11,14H,2,9-10,12-13H2,1H3,(H2,20,21,22)/q+1