methyl (2S)-4-methyl-2-[[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylamino]pentanoate Openeye Name: methyl (2S)-2-[(4-benzylpiperazin-4-ium-1-carbonyl)amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-benzylpiperazin-4-ium-1-carbonyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(4-benzylpiperazin-4-ium-1-carbonyl)amino]-4-methyl-valeric acid methyl ester Formula: C19H30N3O3+ MolecularWeight: 348.4598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C19H29N3O3/c1-15(2)13-17(18(23)25-3)20-19(24)22-11-9-21(10-12-22)14-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,20,24)/p+1/t17-/m0/s1