(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butanoate

Systemtic Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butanoate Openeye Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butanoate CAS Name: (3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]butanoate IUPAC Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butanoate Traditional Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butyrate Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-12(11-15(18)19)16-7-9-17(10-8-16)13-3-5-14(20-2)6-4-13/h3-6,12H,7-11H2,1-2H3,(H,18,19)/t12-/m0/s1