4-[[4-(4-methoxyphenyl)oxan-4-yl]methylazaniumyl]butanoate

Systemtic Name: 4-[[4-(4-methoxyphenyl)oxan-4-yl]methylazaniumyl]butanoate Openeye Name: 4-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methylammonio]butanoate CAS Name: 4-[[4-(4-methoxyphenyl)-4-oxanyl]methylammonio]butanoate IUPAC Name: 4-[[4-(4-methoxyphenyl)oxan-4-yl]methylazaniumyl]butanoate Traditional Name: 4-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methylammonio]butyrate Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CCOCC2)C[NH2+]CCCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2(CCOCC2)C[NH2+]CCCC(=O)[O-]

InChI

InChI=1S/C17H25NO4/c1-21-15-6-4-14(5-7-15)17(8-11-22-12-9-17)13-18-10-2-3-16(19)20/h4-7,18H,2-3,8-13H2,1H3,(H,19,20)