dimethyl-[1-[[(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)carbonylamino]methyl]cycloheptyl]azanium

Systemtic Name: dimethyl-[1-[[(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)carbonylamino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[[4-methyl-2-(2-pyridyl)thiazole-5-carbonyl]amino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[[[4-methyl-2-(2-pyridinyl)-5-thiazolyl]-oxomethyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]cycloheptyl]azanium Traditional Name: dimethyl-[1-[[[4-methyl-2-(2-pyridyl)thiazole-5-carbonyl]amino]methyl]cycloheptyl]ammonium Formula: C20H29N4OS+ MolecularWeight: 373.53546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NCC3(CCCCCC3)[NH+](C)C

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NCC3(CCCCCC3)[NH+](C)C

InChI

InChI=1S/C20H28N4OS/c1-15-17(26-19(23-15)16-10-6-9-13-21-16)18(25)22-14-20(24(2)3)11-7-4-5-8-12-20/h6,9-10,13H,4-5,7-8,11-12,14H2,1-3H3,(H,22,25)/p+1