1,3-benzothiazol-6-yl-[2-(cyclohexylamino)-4-methyl-pyridin-1-ium-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[2-(cyclohexylamino)-4-methyl-pyridin-1-ium-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[2-(cyclohexylamino)-4-methyl-pyridin-1-ium-1-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[2-(cyclohexylamino)-4-methyl-1-pyridin-1-iumyl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[2-(cyclohexylamino)-4-methylpyridin-1-ium-1-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-[2-(cyclohexylamino)-4-methyl-pyridin-1-ium-1-yl]methanone Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C=C1)C(=O)C2=CC3=C(C=C2)N=CS3)NC4CCCCC4

Isomeric SMILES

CC1=CC(=[N+](C=C1)C(=O)C2=CC3=C(C=C2)N=CS3)NC4CCCCC4

InChI

InChI=1S/C20H21N3OS/c1-14-9-10-23(19(11-14)22-16-5-3-2-4-6-16)20(24)15-7-8-17-18(12-15)25-13-21-17/h7-13,16H,2-6H2,1H3/p+1