(4R)-4-(4-methoxyphenyl)-7,7-dimethyl-2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: (4R)-4-(4-methoxyphenyl)-7,7-dimethyl-2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: (4R)-4-(4-methoxyphenyl)-7,7-dimethyl-2-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: (4R)-4-(4-methoxyphenyl)-7,7-dimethyl-2-[(4-methyl-1-piperazin-4-iumyl)methylideneamino]-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4R)-4-(4-methoxyphenyl)-7,7-dimethyl-2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: (4R)-5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-2-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N=CN3CC[NH+](CC3)C)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@@H](C(=C(O2)N=CN3CC[NH+](CC3)C)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C

InChI

InChI=1S/C25H30N4O3/c1-25(2)13-20(30)23-21(14-25)32-24(27-16-29-11-9-28(3)10-12-29)19(15-26)22(23)17-5-7-18(31-4)8-6-17/h5-8,16,22H,9-14H2,1-4H3/p+1/t22-/m1/s1