(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: (2-keto-7,8-dimethyl-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:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC=CC=C3)[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=CC=C3)[NH+]4CCCC4)C

InChI

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