2-(6-methoxynaphthalen-2-yl)-2-[[4-(methylazaniumyl)morpholin-2-yl]methyl]butanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-[[4-(methylazaniumyl)morpholin-2-yl]methyl]butanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-[[4-(methylammonio)morpholin-2-yl]methyl]butanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-[[4-(methylammonio)-2-morpholinyl]methyl]butanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-[[4-(methylazaniumyl)morpholin-2-yl]methyl]butanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-[[4-(methylammonio)morpholin-2-yl]methyl]butyrate Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CN(CCO1)[NH2+]C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CCC(CC1CN(CCO1)[NH2+]C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C21H28N2O4/c1-4-21(20(24)25,13-19-14-23(22-2)9-10-27-19)17-7-5-16-12-18(26-3)8-6-15(16)11-17/h5-8,11-12,19,22H,4,9-10,13-14H2,1-3H3,(H,24,25)