(4S)-4-(4-methoxyphenyl)-7,7-dimethyl-2-[(4-methylpiperazin-1-ium-1-ylidene)methylamino]-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-4-(4-methoxyphenyl)-7,7-dimethyl-2-[(4-methylpiperazin-1-ium-1-ylidene)methylamino]-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: (4S)-4-(4-methoxyphenyl)-7,7-dimethyl-2-[(4-methylpiperazin-1-ium-1-ylidene)methylamino]-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: (4S)-4-(4-methoxyphenyl)-7,7-dimethyl-2-[(4-methyl-1-piperazin-1-iumylidene)methylamino]-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-4-(4-methoxyphenyl)-7,7-dimethyl-2-[(4-methylpiperazin-1-ium-1-ylidene)methylamino]-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: (4S)-5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-2-[(4-methylpiperazin-1-ium-1-ylidene)methylamino]-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)NC=[N+]3CCN(CC3)C)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(O2)NC=[N+]3CCN(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-/m0/s1