3-(2,2-dimethylpropanoylamino)propanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: 3-(2,2-dimethylpropanoylamino)propanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: 3-(2,2-dimethylpropanoylamino)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [3-[(2,2-dimethyl-1-oxopropyl)amino]-1-oxopropyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: 3-(2,2-dimethylpropanoylamino)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[3-(pivaloylamino)propanoyl]ammonium Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)CCNC(=O)C(C)(C)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)CCNC(=O)C(C)(C)C)CC2OC(=C1)O

InChI

InChI=1S/C18H26N2O4/c1-11-9-16(22)24-14-10-12(5-6-13(11)14)20-15(21)7-8-19-17(23)18(2,3)4/h9,14,22H,5-8,10H2,1-4H3,(H,19,23)/p+1