(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: (2-keto-6,7-dimethyl-chromen-4-yl)methyl-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C25H32N2O3+2 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC=C(C=C3)OC)[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4)C

InChI

InChI=1S/C25H30N2O3/c1-17-12-22-20(14-25(28)30-24(22)13-18(17)2)15-26-16-23(27-10-4-5-11-27)19-6-8-21(29-3)9-7-19/h6-9,12-14,23,26H,4-5,10-11,15-16H2,1-3H3/p+2/t23-/m1/s1