4-(1-adamantylcarbonylamino)butanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: 4-(1-adamantylcarbonylamino)butanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: 4-(adamantane-1-carbonylamino)butanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [4-[[1-adamantyl(oxo)methyl]amino]-1-oxobutyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: 4-(adamantane-1-carbonylamino)butanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: 4-(adamantane-1-carbonylamino)butanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C25H35N2O4+ MolecularWeight: 427.5564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4)CC2OC(=C1)O

InChI

InChI=1S/C25H34N2O4/c1-15-7-23(29)31-21-11-19(4-5-20(15)21)27-22(28)3-2-6-26-24(30)25-12-16-8-17(13-25)10-18(9-16)14-25/h7,16-18,21,29H,2-6,8-14H2,1H3,(H,26,30)/p+1