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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]ammonium Formula: C21H25ClN2O2S+2 MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC(C3=CC=CS3)[NH+]4CCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C[C@H](C3=CC=CS3)[NH+]4CCCC4)Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-14-9-19-16(11-17(14)22)15(10-21(25)26-19)12-23-13-18(20-5-4-8-27-20)24-6-2-3-7-24/h4-5,8-11,18,23H,2-3,6-7,12-13H2,1H3/p+2/t18-/m1/s1