2,2-dimethyl-4-[2-oxidanylidene-1-(phenylcarbonyl)piperazin-1-ium-1-yl]-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-dimethyl-4-[2-oxidanylidene-1-(phenylcarbonyl)piperazin-1-ium-1-yl]-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-(1-benzoyl-2-oxo-piperazin-1-ium-1-yl)-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-(1-benzoyl-2-oxo-1-piperazin-1-iumyl)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-(1-benzoyl-2-oxopiperazin-1-ium-1-yl)-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-(1-benzoyl-2-keto-piperazin-1-ium-1-yl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=CC(=C2)C#N)[N+]3(CCNCC3=O)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(C2=C(O1)C=CC(=C2)C#N)[N+]3(CCNCC3=O)C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H24N3O3/c1-23(2)13-19(18-12-16(14-24)8-9-20(18)29-23)26(11-10-25-15-21(26)27)22(28)17-6-4-3-5-7-17/h3-9,12,19,25H,10-11,13,15H2,1-2H3/q+1