3-[(5-chloranyl-1H-indol-2-yl)sulfonyl]-1-[1-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one

Systemtic Name: 3-[(5-chloranyl-1H-indol-2-yl)sulfonyl]-1-[1-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one Openeye Name: 3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[1-(3-methyl-2-methylimino-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one CAS Name: 3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[1-(3-methyl-2-methylimino-5-thiazolyl)-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[1-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-ium-1-yl]propan-1-one Traditional Name: 3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[1-(3-methyl-2-methylimino-4-thiazolin-5-yl)piperidin-1-ium-1-yl]propan-1-one Formula: C21H26ClN4O3S2+ MolecularWeight: 482.03914

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1N(C=C(S1)[N+]2(CCCCC2)C(=O)CCS(=O)(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C

Isomeric SMILES

CN=C1N(C=C(S1)[N+]2(CCCCC2)C(=O)CCS(=O)(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C

InChI

InChI=1S/C21H26ClN4O3S2/c1-23-21-25(2)14-20(30-21)26(9-4-3-5-10-26)19(27)8-11-31(28,29)18-13-15-12-16(22)6-7-17(15)24-18/h6-7,12-14,24H,3-5,8-11H2,1-2H3/q+1