methyl (2R)-2-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H32N3O3+ MolecularWeight: 410.52918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC(CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N[C@H](CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C24H31N3O3/c1-18-8-7-11-22(19(18)2)27-14-12-26(13-15-27)17-23(28)25-21(24(29)30-3)16-20-9-5-4-6-10-20/h4-11,21H,12-17H2,1-3H3,(H,25,28)/p+1/t21-/m1/s1