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

Systemtic Name: methyl (2S)-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoylamino]propanoate Openeye Name: methyl (2S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]propanoate CAS Name: (2S)-2-[[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]propanoate Traditional Name: (2S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]propionic acid methyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-13(16(21)23-2)18-17(22)19-15-8-10-20(11-9-15)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,18,19,22)/p+1/t13-/m0/s1