[(4S)-4-[[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methylazaniumyl]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methylazaniumyl]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[[7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methylammonio]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methylammonio]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methylazaniumyl]pentyl]-diethylazanium Traditional Name: [(4S)-4-[[7-(carbethoxyamino)-2-keto-chromen-4-yl]methylammonio]pentyl]-diethyl-ammonium Formula: C22H35N3O4+2 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)OCC

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+]CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)OCC

InChI

InChI=1S/C22H33N3O4/c1-5-25(6-2)12-8-9-16(4)23-15-17-13-21(26)29-20-14-18(10-11-19(17)20)24-22(27)28-7-3/h10-11,13-14,16,23H,5-9,12,15H2,1-4H3,(H,24,27)/p+2/t16-/m0/s1