azanyl 2-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(2-methylpyridin-4-yl)-6-oxidanylidene-1-piperidin-4-yl-piperazin-1-ium-2-carboxylate

Systemtic Name: azanyl 2-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(2-methylpyridin-4-yl)-6-oxidanylidene-1-piperidin-4-yl-piperazin-1-ium-2-carboxylate Openeye Name: amino 2-[(6-chloro-2-naphthyl)sulfonyl]-1-(2-methyl-4-pyridyl)-6-oxo-1-(4-piperidyl)piperazin-1-ium-2-carboxylate CAS Name: 2-[(6-chloro-2-naphthalenyl)sulfonyl]-1-(2-methyl-4-pyridinyl)-6-oxo-1-(4-piperidinyl)-2-piperazin-1-iumcarboxylic acid amino ester IUPAC Name: amino 2-(6-chloronaphthalen-2-yl)sulfonyl-1-(2-methylpyridin-4-yl)-6-oxo-1-piperidin-4-ylpiperazin-1-ium-2-carboxylate Traditional Name: 2-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-1-(2-methyl-4-pyridyl)-1-(4-piperidyl)piperazin-1-ium-2-carboxylic acid amino ester Formula: C26H29ClN5O5S+ MolecularWeight: 559.05696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)[N+]2(C(=O)CNCC2(C(=O)ON)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5CCNCC5

Isomeric SMILES

CC1=NC=CC(=C1)[N+]2(C(=O)CNCC2(C(=O)ON)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5CCNCC5

InChI

InChI=1S/C26H29ClN5O5S/c1-17-12-22(8-11-31-17)32(21-6-9-29-10-7-21)24(33)15-30-16-26(32,25(34)37-28)38(35,36)23-5-3-18-13-20(27)4-2-19(18)14-23/h2-5,8,11-14,21,29-30H,6-7,9-10,15-16,28H2,1H3/q+1