ethyl 1-(1H-benzimidazol-2-yl)-5-(morpholin-4-ium-4-ylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1H-benzimidazol-2-yl)-5-(morpholin-4-ium-4-ylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(1H-benzimidazol-2-yl)-5-(morpholin-4-ium-4-ylmethyl)pyrazole-4-carboxylate CAS Name: 1-(1H-benzimidazol-2-yl)-5-(4-morpholin-4-iumylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-benzimidazol-2-yl)-5-(morpholin-4-ium-4-ylmethyl)pyrazole-4-carboxylate Traditional Name: 1-(1H-benzimidazol-2-yl)-5-(morpholin-4-ium-4-ylmethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3N2)C[NH+]4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3N2)C[NH+]4CCOCC4

InChI

InChI=1S/C18H21N5O3/c1-2-26-17(24)13-11-19-23(16(13)12-22-7-9-25-10-8-22)18-20-14-5-3-4-6-15(14)21-18/h3-6,11H,2,7-10,12H2,1H3,(H,20,21)/p+1