(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]azanium Traditional Name: (2-keto-7,8-dimethyl-chromen-4-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]ammonium Formula: C22H28N2O2S+2 MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC=CS3)[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=CS3)[NH+]4CCCC4)C

InChI

InChI=1S/C22H26N2O2S/c1-15-7-8-18-17(12-21(25)26-22(18)16(15)2)13-23-14-19(20-6-5-11-27-20)24-9-3-4-10-24/h5-8,11-12,19,23H,3-4,9-10,13-14H2,1-2H3/p+2/t19-/m1/s1