ethyl 4-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]butyric acid ethyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)CCCNC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H27N3O4/c1-2-26-19(25)8-5-11-21-18(24)14-23-12-9-15(10-13-23)20-22-16-6-3-4-7-17(16)27-20/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,21,24)/p+1