1-[1-[(2-azanylidene-1,3-thiazol-3-yl)methyl]piperidin-1-ium-1-yl]-3-(6-chloranylnaphthalen-2-yl)sulfonyl-propan-1-one

Systemtic Name: 1-[1-[(2-azanylidene-1,3-thiazol-3-yl)methyl]piperidin-1-ium-1-yl]-3-(6-chloranylnaphthalen-2-yl)sulfonyl-propan-1-one Openeye Name: 3-[(6-chloro-2-naphthyl)sulfonyl]-1-[1-[(2-iminothiazol-3-yl)methyl]piperidin-1-ium-1-yl]propan-1-one CAS Name: 3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[1-[(2-imino-3-thiazolyl)methyl]-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[1-[(2-imino-1,3-thiazol-3-yl)methyl]piperidin-1-ium-1-yl]propan-1-one Traditional Name: 3-[(6-chloro-2-naphthyl)sulfonyl]-1-[1-[(2-imino-4-thiazolin-3-yl)methyl]piperidin-1-ium-1-yl]propan-1-one Formula: C22H25ClN3O3S2+ MolecularWeight: 479.0352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CN2C=CSC2=N)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

C1CC[N+](CC1)(CN2C=CSC2=N)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN3O3S2/c23-19-6-4-18-15-20(7-5-17(18)14-19)31(28,29)13-8-21(27)26(10-2-1-3-11-26)16-25-9-12-30-22(25)24/h4-7,9,12,14-15,24H,1-3,8,10-11,13,16H2/q+1