diethyl-[(1S)-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-1-phenyl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-1-phenyl-ethyl]azanium Openeye Name: diethyl-[(1S)-2-[(7-methoxy-2-oxo-chromen-4-yl)methylammonio]-1-phenyl-ethyl]ammonium CAS Name: diethyl-[(1S)-2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylammonio]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-2-[(7-methoxy-2-oxochromen-4-yl)methylazaniumyl]-1-phenylethyl]azanium Traditional Name: diethyl-[(1S)-2-[(2-keto-7-methoxy-chromen-4-yl)methylammonio]-1-phenyl-ethyl]ammonium Formula: C23H30N2O3+2 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C[NH2+]CC1=CC(=O)OC2=C1C=CC(=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@H](C[NH2+]CC1=CC(=O)OC2=C1C=CC(=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3/c1-4-25(5-2)21(17-9-7-6-8-10-17)16-24-15-18-13-23(26)28-22-14-19(27-3)11-12-20(18)22/h6-14,21,24H,4-5,15-16H2,1-3H3/p+2/t21-/m1/s1