2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[[2-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-N-phenethyl-benzamide CAS Name: 2-[[2-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-N-phenethylbenzamide Traditional Name: 2-[[2-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-N-phenethyl-benzamide Formula: C26H32N5O3+ MolecularWeight: 462.56398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O3/c1-20-17-22(29-34-20)18-30-13-15-31(16-14-30)19-25(32)28-24-10-6-5-9-23(24)26(33)27-12-11-21-7-3-2-4-8-21/h2-10,17H,11-16,18-19H2,1H3,(H,27,33)(H,28,32)/p+1