[2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 3-nitrobenzoate

Systemtic Name: [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 3-nitrobenzoate Openeye Name: [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2,5-dimethyl-4-(4-morpholin-4-iumylmethyl)phenyl] ester IUPAC Name: [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] ester Formula: C20H23N2O5+ MolecularWeight: 371.40702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCOCC2)C)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCOCC2)C)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5/c1-14-11-19(15(2)10-17(14)13-21-6-8-26-9-7-21)27-20(23)16-4-3-5-18(12-16)22(24)25/h3-5,10-12H,6-9,13H2,1-2H3/p+1