3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[1-(3-methyl-2-propylimino-1,3-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one

Systemtic Name: 3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[1-(3-methyl-2-propylimino-1,3-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one Openeye Name: 3-[(6-chloro-2-naphthyl)sulfonyl]-1-[1-(3-methyl-2-propylimino-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one CAS Name: 3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[1-(3-methyl-2-propylimino-5-thiazolyl)-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[1-(3-methyl-2-propylimino-1,3-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one Traditional Name: 3-[(6-chloro-2-naphthyl)sulfonyl]-1-[1-(3-methyl-2-propylimino-4-thiazolin-5-yl)piperidin-1-ium-1-yl]propan-1-one Formula: C25H31ClN3O3S2+ MolecularWeight: 521.11494

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C1N(C=C(S1)[N+]2(CCCCC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C

Isomeric SMILES

CCCN=C1N(C=C(S1)[N+]2(CCCCC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C

InChI

InChI=1S/C25H31ClN3O3S2/c1-3-12-27-25-28(2)18-24(33-25)29(13-5-4-6-14-29)23(30)11-15-34(31,32)22-10-8-19-16-21(26)9-7-20(19)17-22/h7-10,16-18H,3-6,11-15H2,1-2H3/q+1