[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: [2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: [2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: [2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]CC(=O)NC3(CCCCCC3)C#N)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]CC(=O)NC3(CCCCCC3)C#N)CC2OC(=C1)O

InChI

InChI=1S/C20H27N3O3/c1-14-10-19(25)26-17-11-15(6-7-16(14)17)22-12-18(24)23-20(13-21)8-4-2-3-5-9-20/h10,17,25H,2-9,11-12H2,1H3,(H,23,24)/p+1