cyclohexyl-[(6-methoxy-2-oxidanylidene-chromen-4-yl)methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: cyclohexyl-[(6-methoxy-2-oxidanylidene-chromen-4-yl)methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: cyclohexyl-[(6-methoxy-2-oxo-chromen-4-yl)methyl]-(2-thienylmethyl)ammonium CAS Name: cyclohexyl-[(6-methoxy-2-oxo-1-benzopyran-4-yl)methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: cyclohexyl-[(6-methoxy-2-oxochromen-4-yl)methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: cyclohexyl-[(2-keto-6-methoxy-chromen-4-yl)methyl]-(2-thenyl)ammonium Formula: C22H26NO3S+ MolecularWeight: 384.51174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C=C2C[NH+](CC3=CC=CS3)C4CCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C=C2C[NH+](CC3=CC=CS3)C4CCCCC4

InChI

InChI=1S/C22H25NO3S/c1-25-18-9-10-21-20(13-18)16(12-22(24)26-21)14-23(15-19-8-5-11-27-19)17-6-3-2-4-7-17/h5,8-13,17H,2-4,6-7,14-15H2,1H3/p+1