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

Systemtic Name: [(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: [(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-[(7-methoxy-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: [(2S)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: [(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-[(2-keto-7-methoxy-chromen-4-yl)methyl]ammonium Formula: C23H27ClN2O3+2 MolecularWeight: 414.92508

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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=C3Cl)[NH+]4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=CC=C3Cl)[NH+]4CCCC4

InChI

InChI=1S/C23H25ClN2O3/c1-28-17-8-9-18-16(12-23(27)29-22(18)13-17)14-25-15-21(26-10-4-5-11-26)19-6-2-3-7-20(19)24/h2-3,6-9,12-13,21,25H,4-5,10-11,14-15H2,1H3/p+2/t21-/m1/s1