(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]azanium Openeye Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]ammonium IUPAC Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]ammonium Formula: C23H28N2O2+2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]C3CC[NH+](C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+][C@H]3CC[NH+](C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H26N2O2/c1-16-8-9-21-19(12-22(26)27-23(21)17(16)2)13-24-20-10-11-25(15-20)14-18-6-4-3-5-7-18/h3-9,12,20,24H,10-11,13-15H2,1-2H3/p+2/t20-/m0/s1