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

Systemtic Name: azanyl 2-[2-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(2-methylpyridin-4-yl)-6-oxidanylidene-1-piperidin-4-yl-piperazin-1-ium-2-yl]ethanoate Openeye Name: amino 2-[2-[(6-chloro-2-naphthyl)sulfonyl]-1-(2-methyl-4-pyridyl)-6-oxo-1-(4-piperidyl)piperazin-1-ium-2-yl]acetate CAS Name: 2-[2-[(6-chloro-2-naphthalenyl)sulfonyl]-1-(2-methyl-4-pyridinyl)-6-oxo-1-(4-piperidinyl)-2-piperazin-1-iumyl]acetic acid amino ester IUPAC Name: amino 2-[2-(6-chloronaphthalen-2-yl)sulfonyl-1-(2-methylpyridin-4-yl)-6-oxo-1-piperidin-4-ylpiperazin-1-ium-2-yl]acetate Traditional Name: 2-[2-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-1-(2-methyl-4-pyridyl)-1-(4-piperidyl)piperazin-1-ium-2-yl]acetic acid amino ester Formula: C27H31ClN5O5S+ MolecularWeight: 573.08354

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H31ClN5O5S/c1-18-12-23(8-11-32-18)33(22-6-9-30-10-7-22)25(34)16-31-17-27(33,15-26(35)38-29)39(36,37)24-5-3-19-13-21(28)4-2-20(19)14-24/h2-5,8,11-14,22,30-31H,6-7,9-10,15-17,29H2,1H3/q+1