cyclohexyl-[3-(2,2-dimethylpropanoylamino)-2-oxidanyl-chromen-4-ylidene]azanium

Systemtic Name: cyclohexyl-[3-(2,2-dimethylpropanoylamino)-2-oxidanyl-chromen-4-ylidene]azanium Openeye Name: cyclohexyl-[3-(2,2-dimethylpropanoylamino)-2-hydroxy-chromen-4-ylidene]ammonium CAS Name: cyclohexyl-[3-[(2,2-dimethyl-1-oxopropyl)amino]-2-hydroxy-1-benzopyran-4-ylidene]ammonium IUPAC Name: cyclohexyl-[3-(2,2-dimethylpropanoylamino)-2-hydroxychromen-4-ylidene]azanium Traditional Name: cyclohexyl-[2-hydroxy-3-(pivaloylamino)chromen-4-ylidene]ammonium Formula: C20H27N2O3+ MolecularWeight: 343.43998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=C(OC2=CC=CC=C2C1=[NH+]C3CCCCC3)O

Isomeric SMILES

CC(C)(C)C(=O)NC1=C(OC2=CC=CC=C2C1=[NH+]C3CCCCC3)O

InChI

InChI=1S/C20H26N2O3/c1-20(2,3)19(24)22-17-16(21-13-9-5-4-6-10-13)14-11-7-8-12-15(14)25-18(17)23/h7-8,11-13,23H,4-6,9-10H2,1-3H3,(H,22,24)/p+1