N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-3-[4-(o-tolylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-3-[4-[(2-methylphenyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-(2-methylbenzyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)propionamide Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2)CCC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CC2)CCC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C19H26N4O2/c1-15-5-3-4-6-17(15)14-23-11-9-22(10-12-23)8-7-19(24)20-18-13-16(2)25-21-18/h3-6,13H,7-12,14H2,1-2H3,(H,20,21,24)/p+1