(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-nitro-2-piperidin-1-yl-phenyl)carbonyl-azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-nitro-2-piperidin-1-yl-phenyl)carbonyl-azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[5-nitro-2-(1-piperidyl)benzoyl]ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-nitro-2-piperidin-1-ylbenzoyl)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-nitro-2-piperidino-benzoyl)ammonium Formula: C22H26N3O5+ MolecularWeight: 412.45894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4)CC2OC(=C1)O

InChI

InChI=1S/C22H25N3O5/c1-14-11-21(26)30-20-12-15(5-7-17(14)20)23-22(27)18-13-16(25(28)29)6-8-19(18)24-9-3-2-4-10-24/h6,8,11,13,20,26H,2-5,7,9-10,12H2,1H3/p+1