[2-(cyclohexylamino)pyridin-1-ium-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone

Systemtic Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone Openeye Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-[4-methyl-2-(3-thienyl)thiazol-5-yl]methanone CAS Name: [2-(cyclohexylamino)-1-pyridin-1-iumyl]-[4-methyl-2-(3-thiophenyl)-5-thiazolyl]methanone IUPAC Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone Traditional Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-[4-methyl-2-(3-thienyl)thiazol-5-yl]methanone Formula: C20H22N3OS2+ MolecularWeight: 384.53818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CSC=C2)C(=O)[N+]3=CC=CC=C3NC4CCCCC4

Isomeric SMILES

CC1=C(SC(=N1)C2=CSC=C2)C(=O)[N+]3=CC=CC=C3NC4CCCCC4

InChI

InChI=1S/C20H21N3OS2/c1-14-18(26-19(21-14)15-10-12-25-13-15)20(24)23-11-6-5-9-17(23)22-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8H2,1H3/p+1