methyl (2R)-4-methyl-2-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]pentanoate Openeye Name: methyl (2R)-2-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-4-methyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H33N3O3+2 MolecularWeight: 363.49432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C20H31N3O3/c1-16(2)13-18(20(25)26-3)21-19(24)15-23-11-9-22(10-12-23)14-17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3,(H,21,24)/p+2/t18-/m1/s1