(2S)-2-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenoxy]propanoate

Systemtic Name: (2S)-2-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenoxy]propanoate Openeye Name: (2S)-2-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenoxy]propanoate CAS Name: (2S)-2-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenoxy]propanoate IUPAC Name: (2S)-2-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenoxy]propanoate Traditional Name: (2S)-2-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenoxy]propionate Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C

Isomeric SMILES

C[C@@H](C(=O)[O-])OC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C15H20N2O4/c1-11(15(19)20)21-13-5-3-12(4-6-13)14(18)17-9-7-16(2)8-10-17/h3-6,11H,7-10H2,1-2H3,(H,19,20)/t11-/m0/s1