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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C23H27ClN2O2+2 MolecularWeight: 398.92568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC(C3=CC=CC=C3)[NH+]4CCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C[C@H](C3=CC=CC=C3)[NH+]4CCCC4)Cl

InChI

InChI=1S/C23H25ClN2O2/c1-16-11-22-19(13-20(16)24)18(12-23(27)28-22)14-25-15-21(26-9-5-6-10-26)17-7-3-2-4-8-17/h2-4,7-8,11-13,21,25H,5-6,9-10,14-15H2,1H3/p+2/t21-/m1/s1