(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]azanium

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[(R)-p-tolyl(2-thienyl)methyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[(R)-p-tolyl(2-thienyl)methyl]ammonium Formula: C23H21ClNO2S+ MolecularWeight: 410.93634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

InChI

InChI=1S/C23H20ClNO2S/c1-14-5-7-16(8-6-14)23(21-4-3-9-28-21)25-13-17-11-22(26)27-20-10-15(2)19(24)12-18(17)20/h3-12,23,25H,13H2,1-2H3/p+1/t23-/m1/s1