[(2S)-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1,4-bis(oxidanylidene)-4-phenylmethoxy-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1,4-bis(oxidanylidene)-4-phenylmethoxy-butan-2-yl]azanium Openeye Name: [(1S)-3-benzyloxy-1-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]-3-oxo-propyl]ammonium CAS Name: [(2S)-1-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]ammonium IUPAC Name: [(2S)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]azanium Traditional Name: [(1S)-3-benzoxy-3-keto-1-[(2-keto-4-methyl-chromen-7-yl)carbamoyl]propyl]ammonium Formula: C21H21N2O5+ MolecularWeight: 381.40184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC(=O)OCC3=CC=CC=C3)[NH3+]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC(=O)OCC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C21H20N2O5/c1-13-9-20(25)28-18-10-15(7-8-16(13)18)23-21(26)17(22)11-19(24)27-12-14-5-3-2-4-6-14/h2-10,17H,11-12,22H2,1H3,(H,23,26)/p+1/t17-/m0/s1