5-[1-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-ium-1-yl]-3-methyl-2-methylimino-N-propyl-1,3-thiazole-4-carboxamide

Systemtic Name: 5-[1-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-ium-1-yl]-3-methyl-2-methylimino-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 5-[1-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]piperidin-1-ium-1-yl]-3-methyl-2-methylimino-N-propyl-thiazole-4-carboxamide CAS Name: 5-[1-[3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-oxopropyl]-1-piperidin-1-iumyl]-3-methyl-2-methylimino-N-propyl-4-thiazolecarboxamide IUPAC Name: 5-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-ium-1-yl]-3-methyl-2-methylimino-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 5-[1-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]piperidin-1-ium-1-yl]-3-methyl-2-methylimino-N-propyl-4-thiazoline-4-carboxamide Formula: C27H34ClN4O4S2+ MolecularWeight: 578.16626

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(SC(=NC)N1C)[N+]2(CCCCC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CCCNC(=O)C1=C(SC(=NC)N1C)[N+]2(CCCCC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C27H33ClN4O4S2/c1-4-13-30-25(34)24-26(37-27(29-2)31(24)3)32(14-6-5-7-15-32)23(33)12-16-38(35,36)22-11-9-19-17-21(28)10-8-20(19)18-22/h8-11,17-18H,4-7,12-16H2,1-3H3/p+1