(3S)-3-methyl-5-oxidanylidene-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]pentanoate

Systemtic Name: (3S)-3-methyl-5-oxidanylidene-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]pentanoate Openeye Name: (3S)-5-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-methyl-5-oxo-pentanoate CAS Name: (3S)-3-methyl-5-oxo-5-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]pentanoate IUPAC Name: (3S)-5-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-methyl-5-oxopentanoate Traditional Name: (3S)-5-[(1-benzylpiperidin-1-ium-4-yl)amino]-5-keto-3-methyl-valerate Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-14(12-18(22)23)11-17(21)19-16-7-9-20(10-8-16)13-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3,(H,19,21)(H,22,23)/t14-/m0/s1