(4S)-4-(3,4-dimethoxyphenyl)-2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-7-oxidanyl-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-4-(3,4-dimethoxyphenyl)-2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-7-oxidanyl-4H-chromene-3-carbonitrile Openeye Name: (4S)-4-(3,4-dimethoxyphenyl)-7-hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]-4H-chromene-3-carbonitrile CAS Name: (4S)-4-(3,4-dimethoxyphenyl)-7-hydroxy-2-[(4-methyl-1-piperazin-4-iumyl)methylideneamino]-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-4-(3,4-dimethoxyphenyl)-7-hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-4H-chromene-3-carbonitrile Traditional Name: (4S)-4-(3,4-dimethoxyphenyl)-7-hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]-4H-chromene-3-carbonitrile Formula: C24H27N4O4+ MolecularWeight: 435.49558

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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)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)OC)C#N

InChI

InChI=1S/C24H26N4O4/c1-27-8-10-28(11-9-27)15-26-24-19(14-25)23(18-6-5-17(29)13-21(18)32-24)16-4-7-20(30-2)22(12-16)31-3/h4-7,12-13,15,23,29H,8-11H2,1-3H3/p+1/t23-/m0/s1