2-(4-tert-butylphenoxy)ethyl-[(3R)-4-(4-nitrophenyl)morpholin-3-yl]azanium

Systemtic Name: 2-(4-tert-butylphenoxy)ethyl-[(3R)-4-(4-nitrophenyl)morpholin-3-yl]azanium Openeye Name: 2-(4-tert-butylphenoxy)ethyl-[(3R)-4-(4-nitrophenyl)morpholin-3-yl]ammonium CAS Name: 2-(4-tert-butylphenoxy)ethyl-[(3R)-4-(4-nitrophenyl)-3-morpholinyl]ammonium IUPAC Name: 2-(4-tert-butylphenoxy)ethyl-[(3R)-4-(4-nitrophenyl)morpholin-3-yl]azanium Traditional Name: 2-(4-tert-butylphenoxy)ethyl-[(3R)-4-(4-nitrophenyl)morpholin-3-yl]ammonium Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC[NH2+]C2COCCN2C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC[NH2+][C@H]2COCCN2C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O4/c1-22(2,3)17-4-10-20(11-5-17)29-14-12-23-21-16-28-15-13-24(21)18-6-8-19(9-7-18)25(26)27/h4-11,21,23H,12-16H2,1-3H3/p+1/t21-/m1/s1