(2E)-2-[1-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-ium-1-yl]imino-N,3,4-trimethyl-1,3-thiazole-5-carboxamide

Systemtic Name: (2E)-2-[1-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-ium-1-yl]imino-N,3,4-trimethyl-1,3-thiazole-5-carboxamide Openeye Name: (2E)-2-[1-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]piperidin-1-ium-1-yl]imino-N,3,4-trimethyl-thiazole-5-carboxamide CAS Name: (2E)-2-[[1-[3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-oxopropyl]-1-piperidin-1-iumyl]imino]-N,3,4-trimethyl-5-thiazolecarboxamide IUPAC Name: (2E)-2-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-ium-1-yl]imino-N,3,4-trimethyl-1,3-thiazole-5-carboxamide Traditional Name: (2E)-2-[1-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]piperidin-1-ium-1-yl]imino-N,3,4-trimethyl-4-thiazoline-5-carboxamide Formula: C25H30ClN4O4S2+ MolecularWeight: 550.1131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N[N+]2(CCCCC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)N1C)C(=O)NC

Isomeric SMILES

CC1=C(S/C(=N/[N+]2(CCCCC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)/N1C)C(=O)NC

InChI

InChI=1S/C25H29ClN4O4S2/c1-17-23(24(32)27-2)35-25(29(17)3)28-30(12-5-4-6-13-30)22(31)11-14-36(33,34)21-10-8-18-15-20(26)9-7-19(18)16-21/h7-10,15-16H,4-6,11-14H2,1-3H3/p+1/b28-25+