methyl 4-[[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate CAS Name: 4-[[[2-(4-morpholin-4-iumylmethyl)-3H-benzimidazol-5-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate Traditional Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoic acid methyl ester Formula: C21H23N4O4+ MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C[NH+]4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C[NH+]4CCOCC4

InChI

InChI=1S/C21H22N4O4/c1-28-21(27)15-4-2-14(3-5-15)20(26)22-16-6-7-17-18(12-16)24-19(23-17)13-25-8-10-29-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,22,26)(H,23,24)/p+1