(3R)-4-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-4-ium-2-one CAS Name: (3R)-4-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-4-ium-2-one Traditional Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]piperazin-4-ium-2-one Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCNC(=O)C3C4=C(N(N=C4C)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCNC(=O)[C@H]3C4=C(N(N=C4C)C5=CC=CC=C5)C)C

InChI

InChI=1S/C27H28N4O3/c1-16-10-11-22-20(14-23(32)34-26(22)17(16)2)15-30-13-12-28-27(33)25(30)24-18(3)29-31(19(24)4)21-8-6-5-7-9-21/h5-11,14,25H,12-13,15H2,1-4H3,(H,28,33)/p+1/t25-/m1/s1