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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)[NH+]2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CC[C@H](C(=O)NC1=NOC(=C1)C)[NH+]2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C19H26N4O2/c1-4-16(19(24)20-18-13-15(3)25-21-18)22-9-11-23(12-10-22)17-8-6-5-7-14(17)2/h5-8,13,16H,4,9-12H2,1-3H3,(H,20,21,24)/p+1/t16-/m1/s1