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

Systemtic Name: ethyl 1-(1H-benzimidazol-2-ylamino)-3-(pyrazin-2-ylmethyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: ethyl 1-(1H-benzimidazol-2-ylamino)-3-(pyrazin-2-ylmethyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylamino)-3-(2-pyrazinylmethyl)-1-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-benzimidazol-2-ylamino)-3-(pyrazin-2-ylmethyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylamino)-3-(pyrazin-2-ylmethyl)pyrrolidin-1-ium-1-carboxylic acid ethyl ester Formula: C19H23N6O2+ MolecularWeight: 367.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCC(C1)CC2=NC=CN=C2)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)[N+]1(CCC(C1)CC2=NC=CN=C2)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H23N6O2/c1-2-27-19(26)25(24-18-22-16-5-3-4-6-17(16)23-18)10-7-14(13-25)11-15-12-20-8-9-21-15/h3-6,8-9,12,14H,2,7,10-11,13H2,1H3,(H2,22,23,24)/q+1