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

Systemtic Name: 5-[(2-methoxynaphthalen-1-yl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[(2-methoxy-1-naphthyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[(2-methoxy-1-naphthalenyl)methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[(2-methoxynaphthalen-1-yl)methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[(2-methoxy-1-naphthyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)CNC3=CC(=C(C=C3)[NH+]4CCOCC4)C(=O)[O-]

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)CNC3=CC(=C(C=C3)[NH+]4CCOCC4)C(=O)[O-]

InChI

InChI=1S/C23H24N2O4/c1-28-22-9-6-16-4-2-3-5-18(16)20(22)15-24-17-7-8-21(19(14-17)23(26)27)25-10-12-29-13-11-25/h2-9,14,24H,10-13,15H2,1H3,(H,26,27)