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

Systemtic Name: methyl 3-[[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-4-carbonyl]amino]propanoate CAS Name: 3-[[[1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-4-piperidin-1-iumyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-carbonyl]amino]propanoate Traditional Name: 3-[[1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-4-carbonyl]amino]propionic acid methyl ester Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4/c1-29-20(27)6-11-23-21(28)16-7-12-25(13-8-16)17-9-14-26(15-10-17)22-24-18-4-2-3-5-19(18)30-22/h2-5,16-17H,6-15H2,1H3,(H,23,28)/p+1