2-morpholin-4-ium-4-yl-5-[(4-pyrrolidin-1-ylphenyl)methylamino]benzoate

Systemtic Name: 2-morpholin-4-ium-4-yl-5-[(4-pyrrolidin-1-ylphenyl)methylamino]benzoate Openeye Name: 2-morpholin-4-ium-4-yl-5-[(4-pyrrolidin-1-ylphenyl)methylamino]benzoate CAS Name: 2-(4-morpholin-4-iumyl)-5-[[4-(1-pyrrolidinyl)phenyl]methylamino]benzoate IUPAC Name: 2-morpholin-4-ium-4-yl-5-[(4-pyrrolidin-1-ylphenyl)methylamino]benzoate Traditional Name: 2-morpholin-4-ium-4-yl-5-[(4-pyrrolidinobenzyl)amino]benzoate Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CNC3=CC(=C(C=C3)[NH+]4CCOCC4)C(=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CNC3=CC(=C(C=C3)[NH+]4CCOCC4)C(=O)[O-]

InChI

InChI=1S/C22H27N3O3/c26-22(27)20-15-18(5-8-21(20)25-11-13-28-14-12-25)23-16-17-3-6-19(7-4-17)24-9-1-2-10-24/h3-8,15,23H,1-2,9-14,16H2,(H,26,27)