ethyl 1-(1H-benzimidazol-2-ylamino)-3-(1,3-thiazol-4-ylmethyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: ethyl 1-(1H-benzimidazol-2-ylamino)-3-(1,3-thiazol-4-ylmethyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: ethyl 1-(1H-benzimidazol-2-ylamino)-3-(thiazol-4-ylmethyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylamino)-3-(4-thiazolylmethyl)-1-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-benzimidazol-2-ylamino)-3-(1,3-thiazol-4-ylmethyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylamino)-3-(thiazol-4-ylmethyl)pyrrolidin-1-ium-1-carboxylic acid ethyl ester Formula: C18H22N5O2S+ MolecularWeight: 372.46458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCC(C1)CC2=CSC=N2)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)[N+]1(CCC(C1)CC2=CSC=N2)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H22N5O2S/c1-2-25-18(24)23(8-7-13(10-23)9-14-11-26-12-19-14)22-17-20-15-5-3-4-6-16(15)21-17/h3-6,11-13H,2,7-10H2,1H3,(H2,20,21,22)/q+1