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

Systemtic Name: ethyl 1-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-2-28-22(27)17-7-11-24(12-8-17)15-20(26)25-13-9-16(10-14-25)21-23-18-5-3-4-6-19(18)29-21/h3-6,16-17H,2,7-15H2,1H3/p+1