[2-[[(2R)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-[[(2R)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-[[(1R)-1-methoxycarbonyl-3-methyl-butyl]amino]-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-[[(1R)-1-carbomethoxy-3-methyl-butyl]amino]-2-keto-ethyl] ester Formula: C21H31N2O6+ MolecularWeight: 407.48064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)COC(=O)C1=CC=C(C=C1)C[NH+]2CCOCC2

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)COC(=O)C1=CC=C(C=C1)C[NH+]2CCOCC2

InChI

InChI=1S/C21H30N2O6/c1-15(2)12-18(21(26)27-3)22-19(24)14-29-20(25)17-6-4-16(5-7-17)13-23-8-10-28-11-9-23/h4-7,15,18H,8-14H2,1-3H3,(H,22,24)/p+1/t18-/m1/s1