(2S)-2-[(4-methylpiperazin-4-ium-1-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[(4-methylpiperazin-4-ium-1-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[(4-methylpiperazin-4-ium-1-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[(4-methylpiperazin-4-ium-1-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-methylpiperazin-4-ium-1-carbonyl)amino]-3-phenyl-propionate Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H21N3O3/c1-17-7-9-18(10-8-17)15(21)16-13(14(19)20)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,21)(H,19,20)/t13-/m0/s1