(2S)-4-methyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoylamino]pentanoate Openeye Name: (2S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]amino]pentanoate IUPAC Name: (2S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]-4-methyl-valerate Formula: C19H29N3O3 MolecularWeight: 347.45186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C19H29N3O3/c1-14(2)12-17(18(23)24)21-19(25)20-16-8-10-22(11-9-16)13-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H,23,24)(H2,20,21,25)/t17-/m0/s1