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

Systemtic Name: (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butanamide Openeye Name: (2R)-N-(5-methylisoxazol-3-yl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]butanamide CAS Name: (2R)-N-(5-methyl-3-isoxazolyl)-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]butanamide IUPAC Name: (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butanamide Traditional Name: (2R)-N-(5-methylisoxazol-3-yl)-2-[4-(m-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(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2/c1-4-17(19(24)20-18-13-15(3)25-21-18)23-10-8-22(9-11-23)16-7-5-6-14(2)12-16/h5-7,12-13,17H,4,8-11H2,1-3H3,(H,20,21,24)/p+1/t17-/m1/s1