(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(3-nitro-4-piperidin-1-yl-phenyl)carbonyl-azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(3-nitro-4-piperidin-1-yl-phenyl)carbonyl-azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[3-nitro-4-(1-piperidyl)benzoyl]ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(3-nitro-4-piperidin-1-ylbenzoyl)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(3-nitro-4-piperidino-benzoyl)ammonium Formula: C22H26N3O5+ MolecularWeight: 412.45894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c1-14-11-21(26)30-20-13-16(6-7-17(14)20)23-22(27)15-5-8-18(19(12-15)25(28)29)24-9-3-2-4-10-24/h5,8,11-12,20,26H,2-4,6-7,9-10,13H2,1H3/p+1