ethyl (2R)-4-(6-chloranylnaphthalen-2-yl)sulfonyl-6-oxidanylidene-1-[(1-pyridin-4-ylpyridin-1-ium-4-yl)methyl]piperazine-2-carboxylate

Systemtic Name: ethyl (2R)-4-(6-chloranylnaphthalen-2-yl)sulfonyl-6-oxidanylidene-1-[(1-pyridin-4-ylpyridin-1-ium-4-yl)methyl]piperazine-2-carboxylate Openeye Name: ethyl (2R)-4-[(6-chloro-2-naphthyl)sulfonyl]-6-oxo-1-[[1-(4-pyridyl)pyridin-1-ium-4-yl]methyl]piperazine-2-carboxylate CAS Name: (2R)-4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[(1-pyridin-4-yl-4-pyridin-1-iumyl)methyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-4-(6-chloronaphthalen-2-yl)sulfonyl-6-oxo-1-[(1-pyridin-4-ylpyridin-1-ium-4-yl)methyl]piperazine-2-carboxylate Traditional Name: (2R)-4-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-1-[[1-(4-pyridyl)pyridin-1-ium-4-yl]methyl]piperazine-2-carboxylic acid ethyl ester Formula: C28H26ClN4O5S+ MolecularWeight: 566.04784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CC(=O)N1CC2=CC=[N+](C=C2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CN(CC(=O)N1CC2=CC=[N+](C=C2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C28H26ClN4O5S/c1-2-38-28(35)26-18-32(39(36,37)25-6-4-21-15-23(29)5-3-22(21)16-25)19-27(34)33(26)17-20-9-13-31(14-10-20)24-7-11-30-12-8-24/h3-16,26H,2,17-19H2,1H3/q+1/t26-/m1/s1