methyl 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]benzoate Openeye Name: methyl 4-[[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]carbamoyl]benzoate CAS Name: 4-[[[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]carbamoyl]benzoate Traditional Name: 4-[[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]carbamoyl]benzoic acid methyl ester Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O4/c1-16-3-5-17(6-4-16)20(15-24-11-13-28-14-12-24)23-21(25)18-7-9-19(10-8-18)22(26)27-2/h3-10,20H,11-15H2,1-2H3,(H,23,25)/p+1/t20-/m0/s1