N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(2-thienylmethyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-(2-thenyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C16H22N4O2S/c1-13-10-15(18-22-13)17-16(21)12-20-6-3-5-19(7-8-20)11-14-4-2-9-23-14/h2,4,9-10H,3,5-8,11-12H2,1H3,(H,17,18,21)/p+1