(3R)-5-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-5-oxidanylidene-pentanoate

Systemtic Name: (3R)-5-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-5-oxidanylidene-pentanoate Openeye Name: (3R)-5-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-5-oxo-pentanoate CAS Name: (3R)-5-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-5-oxopentanoate IUPAC Name: (3R)-5-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-5-oxopentanoate Traditional Name: (3R)-5-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-5-keto-3-methyl-valerate Formula: C17H23ClN2O3 MolecularWeight: 338.82912

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)Cl)CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O3/c1-13(11-17(22)23)10-16(21)20-8-6-19(7-9-20)12-14-2-4-15(18)5-3-14/h2-5,13H,6-12H2,1H3,(H,22,23)/t13-/m1/s1