2-(azepan-1-ium-1-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[5-(m-tolylmethyl)thiazol-2-yl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[5-[(3-methylphenyl)methyl]-2-thiazolyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[5-(3-methylbenzyl)thiazol-2-yl]acetamide Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C19H25N3OS/c1-15-7-6-8-16(11-15)12-17-13-20-19(24-17)21-18(23)14-22-9-4-2-3-5-10-22/h6-8,11,13H,2-5,9-10,12,14H2,1H3,(H,20,21,23)/p+1