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

Systemtic Name: 2-[4-(4-butylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-(4-butylbenzoyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[(4-butylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-(4-butylbenzoyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-(4-butylbenzoyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C21H28N4O3/c1-3-4-5-17-6-8-18(9-7-17)21(27)25-12-10-24(11-13-25)15-20(26)22-19-14-16(2)28-23-19/h6-9,14H,3-5,10-13,15H2,1-2H3,(H,22,23,26)/p+1