cyclooctyl-[[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl]azanium

Systemtic Name: cyclooctyl-[[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl]azanium Openeye Name: cyclooctyl-[[2-[2-(4-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl]ammonium CAS Name: cyclooctyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl]ammonium IUPAC Name: cyclooctyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium Traditional Name: cyclooctyl-[[2-[2-keto-2-(p-toluidino)ethyl]thiazol-4-yl]methyl]ammonium Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)C[NH2+]C3CCCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)C[NH2+]C3CCCCCCC3

InChI

InChI=1S/C21H29N3OS/c1-16-9-11-18(12-10-16)23-20(25)13-21-24-19(15-26-21)14-22-17-7-5-3-2-4-6-8-17/h9-12,15,17,22H,2-8,13-14H2,1H3,(H,23,25)/p+1