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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: (7-ethyl-2-keto-chromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C24H30N2O2+2 MolecularWeight: 378.5072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C24H28N2O2/c1-2-18-10-11-21-20(15-24(27)28-23(21)14-18)16-25-17-22(26-12-6-7-13-26)19-8-4-3-5-9-19/h3-5,8-11,14-15,22,25H,2,6-7,12-13,16-17H2,1H3/p+2/t22-/m1/s1