8-(azepan-1-ium-1-ylmethyl)-2-methyl-4-oxidanylidene-3-phenyl-chromen-7-olate

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-2-methyl-4-oxidanylidene-3-phenyl-chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-2-methyl-4-oxo-3-phenyl-chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-2-methyl-4-oxo-3-phenyl-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-2-methyl-4-oxo-3-phenylchromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-4-keto-2-methyl-3-phenyl-chromen-7-olate Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25NO3/c1-16-21(17-9-5-4-6-10-17)22(26)18-11-12-20(25)19(23(18)27-16)15-24-13-7-2-3-8-14-24/h4-6,9-12,25H,2-3,7-8,13-15H2,1H3