3-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propanoate CAS Name: 3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]propanoate IUPAC Name: 3-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propionate Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3CC[NH+](CC3)CCC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3CC[NH+](CC3)CCC(=O)[O-]

InChI

InChI=1S/C16H20N2O3/c1-11-2-3-13-14(10-11)21-16(17-13)12-4-7-18(8-5-12)9-6-15(19)20/h2-3,10,12H,4-9H2,1H3,(H,19,20)