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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(1-thiophen-2-ylcarbonylpiperidin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[oxo-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-[1-(2-thenoyl)isonipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H28N5O4S+ MolecularWeight: 446.54312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H27N5O4S/c1-15-13-18(23-30-15)22-19(27)14-24-8-10-26(11-9-24)20(28)16-4-6-25(7-5-16)21(29)17-3-2-12-31-17/h2-3,12-13,16H,4-11,14H2,1H3,(H,22,23,27)/p+1