N-[4-(azocan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)ethanamide

Systemtic Name: N-[4-(azocan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)ethanamide Openeye Name: N-[4-(azocan-1-ium-1-ylmethyl)thiazol-2-yl]-N-(2-methoxyphenyl)acetamide CAS Name: N-[4-(1-azocan-1-iumylmethyl)-2-thiazolyl]-N-(2-methoxyphenyl)acetamide IUPAC Name: N-[4-(azocan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide Traditional Name: N-[4-(azocan-1-ium-1-ylmethyl)thiazol-2-yl]-N-(2-methoxyphenyl)acetamide Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1OC)C2=NC(=CS2)C[NH+]3CCCCCCC3

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1OC)C2=NC(=CS2)C[NH+]3CCCCCCC3

InChI

InChI=1S/C20H27N3O2S/c1-16(24)23(18-10-6-7-11-19(18)25-2)20-21-17(15-26-20)14-22-12-8-4-3-5-9-13-22/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3/p+1