1-[(E)-[(3S)-3-morpholin-4-ium-4-yl-5-nitro-3H-1-benzofuran-2-ylidene]methyl]cyclohexan-1-ol

Systemtic Name: 1-[(E)-[(3S)-3-morpholin-4-ium-4-yl-5-nitro-3H-1-benzofuran-2-ylidene]methyl]cyclohexan-1-ol Openeye Name: 1-[(E)-[(3S)-3-morpholin-4-ium-4-yl-5-nitro-3H-benzofuran-2-ylidene]methyl]cyclohexanol CAS Name: 1-[(E)-[(3S)-3-(4-morpholin-4-iumyl)-5-nitro-3H-benzofuran-2-ylidene]methyl]-1-cyclohexanol IUPAC Name: 1-[(E)-[(3S)-3-morpholin-4-ium-4-yl-5-nitro-3H-1-benzofuran-2-ylidene]methyl]cyclohexan-1-ol Traditional Name: 1-[(E)-[(3S)-3-morpholin-4-ium-4-yl-5-nitro-coumaran-2-ylidene]methyl]cyclohexanol Formula: C19H25N2O5+ MolecularWeight: 361.4122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C=C2C(C3=C(O2)C=CC(=C3)[N+](=O)[O-])[NH+]4CCOCC4)O

Isomeric SMILES

C1CCC(CC1)(/C=C/2\[C@H](C3=C(O2)C=CC(=C3)[N+](=O)[O-])[NH+]4CCOCC4)O

InChI

InChI=1S/C19H24N2O5/c22-19(6-2-1-3-7-19)13-17-18(20-8-10-25-11-9-20)15-12-14(21(23)24)4-5-16(15)26-17/h4-5,12-13,18,22H,1-3,6-11H2/p+1/b17-13+/t18-/m0/s1