methyl 1-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H27N3O4/c1-27-21(26)16-6-10-23(11-7-16)14-19(25)24-12-8-15(9-13-24)20-22-17-4-2-3-5-18(17)28-20/h2-5,15-16H,6-14H2,1H3/p+1