2-morpholin-4-ium-4-yl-5-[(4-propan-2-ylphenyl)methylamino]benzoate

Systemtic Name: 2-morpholin-4-ium-4-yl-5-[(4-propan-2-ylphenyl)methylamino]benzoate Openeye Name: 5-[(4-isopropylphenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 2-(4-morpholin-4-iumyl)-5-[(4-propan-2-ylphenyl)methylamino]benzoate IUPAC Name: 2-morpholin-4-ium-4-yl-5-[(4-propan-2-ylphenyl)methylamino]benzoate Traditional Name: 5-[(4-isopropylbenzyl)amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-]

InChI

InChI=1S/C21H26N2O3/c1-15(2)17-5-3-16(4-6-17)14-22-18-7-8-20(19(13-18)21(24)25)23-9-11-26-12-10-23/h3-8,13,15,22H,9-12,14H2,1-2H3,(H,24,25)