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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]azanium Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]ammonium CAS Name: (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]ammonium IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]azanium Traditional Name: (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]ammonium Formula: C24H32N2O2S+2 MolecularWeight: 412.58808

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O2S/c1-16(2)19-13-20-18(12-24(27)28-22(20)11-17(19)3)14-25-15-21(23-7-6-10-29-23)26-8-4-5-9-26/h6-7,10-13,16,21,25H,4-5,8-9,14-15H2,1-3H3/p+2/t21-/m1/s1