(2S)-2-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propanoate

Systemtic Name: (2S)-2-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propanoate Openeye Name: (2S)-2-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propanoate CAS Name: (2S)-2-[3-[(4-methyl-1-piperazin-4-iumyl)methyl]phenoxy]propanoate IUPAC Name: (2S)-2-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propanoate Traditional Name: (2S)-2-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propionate Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=CC(=C1)CN2CC[NH+](CC2)C

Isomeric SMILES

C[C@@H](C(=O)[O-])OC1=CC=CC(=C1)CN2CC[NH+](CC2)C

InChI

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