methyl 4-[[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-4-carbonyl]amino]butanoate CAS Name: 4-[[[1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-4-piperidin-1-iumyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-carbonyl]amino]butanoate Traditional Name: 4-[[1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-4-carbonyl]amino]butyric acid methyl ester Formula: C23H33N4O4+ MolecularWeight: 429.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1CC[NH+](CC1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)CCCNC(=O)C1CC[NH+](CC1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H32N4O4/c1-30-21(28)7-4-12-24-22(29)17-8-13-26(14-9-17)18-10-15-27(16-11-18)23-25-19-5-2-3-6-20(19)31-23/h2-3,5-6,17-18H,4,7-16H2,1H3,(H,24,29)/p+1