(4R)-4-(4-methoxyphenyl)-2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-7-oxidanyl-4H-chromene-3-carbonitrile

Systemtic Name: (4R)-4-(4-methoxyphenyl)-2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-7-oxidanyl-4H-chromene-3-carbonitrile Openeye Name: (4R)-7-hydroxy-4-(4-methoxyphenyl)-2-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]-4H-chromene-3-carbonitrile CAS Name: (4R)-7-hydroxy-4-(4-methoxyphenyl)-2-[(4-methyl-1-piperazin-4-iumyl)methylideneamino]-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4R)-7-hydroxy-4-(4-methoxyphenyl)-2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-4H-chromene-3-carbonitrile Traditional Name: (4R)-7-hydroxy-4-(4-methoxyphenyl)-2-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]-4H-chromene-3-carbonitrile Formula: C23H25N4O3+ MolecularWeight: 405.4696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C=NC2=C(C(C3=C(O2)C=C(C=C3)O)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C=NC2=C([C@@H](C3=C(O2)C=C(C=C3)O)C4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C23H24N4O3/c1-26-9-11-27(12-10-26)15-25-23-20(14-24)22(16-3-6-18(29-2)7-4-16)19-8-5-17(28)13-21(19)30-23/h3-8,13,15,22,28H,9-12H2,1-2H3/p+1/t22-/m1/s1