2-[1-methyl-5-(2-morpholin-4-ylphenyl)imino-4H-imidazol-3-ium-3-yl]ethyl benzoate

Systemtic Name: 2-[1-methyl-5-(2-morpholin-4-ylphenyl)imino-4H-imidazol-3-ium-3-yl]ethyl benzoate Openeye Name: 2-[1-methyl-5-(2-morpholinophenyl)imino-4H-imidazol-3-ium-3-yl]ethyl benzoate CAS Name: benzoic acid 2-[1-methyl-5-[2-(4-morpholinyl)phenyl]imino-4H-imidazol-3-ium-3-yl]ethyl ester IUPAC Name: 2-[1-methyl-5-(2-morpholin-4-ylphenyl)imino-4H-imidazol-3-ium-3-yl]ethyl benzoate Traditional Name: benzoic acid 2-[3-methyl-4-(2-morpholinophenyl)imino-2-imidazolin-1-ium-1-yl]ethyl ester Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](CC1=NC2=CC=CC=C2N3CCOCC3)CCOC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C=[N+](CC1=NC2=CC=CC=C2N3CCOCC3)CCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N4O3/c1-25-18-26(11-16-30-23(28)19-7-3-2-4-8-19)17-22(25)24-20-9-5-6-10-21(20)27-12-14-29-15-13-27/h2-10,18H,11-17H2,1H3/q+1