(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: (2-keto-7-methoxy-chromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C23H28N2O3+2 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C23H26N2O3/c1-27-19-9-10-20-18(13-23(26)28-22(20)14-19)15-24-16-21(25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13-14,21,24H,5-6,11-12,15-16H2,1H3/p+2/t21-/m1/s1