4-chloranyl-5-[1-(ethoxymethyl)-2-(2-methylpropyl)-3a,7a-dihydro-3H-indazol-1-ium-1-yl]-3-methyl-1,2-thiazole

Systemtic Name: 4-chloranyl-5-[1-(ethoxymethyl)-2-(2-methylpropyl)-3a,7a-dihydro-3H-indazol-1-ium-1-yl]-3-methyl-1,2-thiazole Openeye Name: 4-chloro-5-[1-(ethoxymethyl)-2-isobutyl-3a,7a-dihydro-3H-indazol-1-ium-1-yl]-3-methyl-isothiazole CAS Name: 4-chloro-5-[1-(ethoxymethyl)-2-(2-methylpropyl)-3a,7a-dihydro-3H-indazol-1-ium-1-yl]-3-methylisothiazole IUPAC Name: 4-chloro-5-[1-(ethoxymethyl)-2-(2-methylpropyl)-3a,7a-dihydro-3H-indazol-1-ium-1-yl]-3-methyl-1,2-thiazole Traditional Name: 4-chloro-5-[1-(ethoxymethyl)-2-isobutyl-3a,7a-dihydro-3H-indazol-1-ium-1-yl]-3-methyl-isothiazole Formula: C18H27ClN3OS+ MolecularWeight: 368.94448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC[N+]1(C2C=CC=CC2CN1CC(C)C)C3=C(C(=NS3)C)Cl

Isomeric SMILES

CCOC[N+]1(C2C=CC=CC2CN1CC(C)C)C3=C(C(=NS3)C)Cl

InChI

InChI=1S/C18H27ClN3OS/c1-5-23-12-22(18-17(19)14(4)20-24-18)16-9-7-6-8-15(16)11-21(22)10-13(2)3/h6-9,13,15-16H,5,10-12H2,1-4H3/q+1