methyl (2S)-3-phenyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoylamino]propanoate Openeye Name: methyl (2S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-29-22(27)21(16-18-8-4-2-5-9-18)25-23(28)24-20-12-14-26(15-13-20)17-19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3,(H2,24,25,28)/p+1/t21-/m0/s1