ethyl 2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoylamino]ethanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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