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

Systemtic Name: 2,2-dimethyl-3-oxidanyl-4-[2-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-1-yl]-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-(1-benzyl-2-oxo-piperazin-1-ium-1-yl)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-dimethyl-4-[2-oxo-1-(phenylmethyl)-1-piperazin-1-iumyl]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-(1-benzyl-2-oxopiperazin-1-ium-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-(1-benzyl-2-keto-piperazin-1-ium-1-yl)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)[N+]3(CCNCC3=O)CC4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)[N+]3(CCNCC3=O)CC4=CC=CC=C4)O)C

InChI

InChI=1S/C23H26N3O3/c1-23(2)22(28)21(18-12-17(13-24)8-9-19(18)29-23)26(11-10-25-14-20(26)27)15-16-6-4-3-5-7-16/h3-9,12,21-22,25,28H,10-11,14-15H2,1-2H3/q+1