diethyl-[(4S)-4-[2-(2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl)oxyethanoylamino]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[2-(2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl)oxyethanoylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[[2-(2-methyl-4-oxo-3-phenyl-chromen-7-yl)oxyacetyl]amino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[2-[(2-methyl-4-oxo-3-phenyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[[2-(4-keto-2-methyl-3-phenyl-chromen-7-yl)oxyacetyl]amino]pentyl]ammonium Formula: C27H35N2O4+ MolecularWeight: 451.5778

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC=CC=C3

InChI

InChI=1S/C27H34N2O4/c1-5-29(6-2)16-10-11-19(3)28-25(30)18-32-22-14-15-23-24(17-22)33-20(4)26(27(23)31)21-12-8-7-9-13-21/h7-9,12-15,17,19H,5-6,10-11,16,18H2,1-4H3,(H,28,30)/p+1/t19-/m0/s1