[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [(1R)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [(1R)-2-(indan-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C24H28N2O4/c1-17(23(27)25-22-10-9-19-3-2-4-21(19)15-22)30-24(28)20-7-5-18(6-8-20)16-26-11-13-29-14-12-26/h5-10,15,17H,2-4,11-14,16H2,1H3,(H,25,27)/p+1/t17-/m1/s1