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

Systemtic Name: methyl 2-[[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-4-carbonyl]amino]acetate CAS Name: 2-[[[1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-4-piperidin-1-iumyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-carbonyl]amino]acetate Traditional Name: 2-[[1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-4-carbonyl]amino]acetic acid methyl ester Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4/c1-28-19(26)14-22-20(27)15-6-10-24(11-7-15)16-8-12-25(13-9-16)21-23-17-4-2-3-5-18(17)29-21/h2-5,15-16H,6-14H2,1H3,(H,22,27)/p+1