(2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-methyl-butanoate

Systemtic Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-methyl-butanoate Openeye Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-methyl-butanoate CAS Name: (2R)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-3-methylbutanoate IUPAC Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-methylbutanoate Traditional Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-methyl-butyrate Formula: C16H24N2O3 MolecularWeight: 292.37336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+]1CCN(CC1)C2=CC(=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-12(2)15(16(19)20)18-9-7-17(8-10-18)13-5-4-6-14(11-13)21-3/h4-6,11-12,15H,7-10H2,1-3H3,(H,19,20)/t15-/m1/s1