2-[1-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]cyclopentyl]ethanoate

Systemtic Name: 2-[1-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]cyclopentyl]ethanoate Openeye Name: 2-[1-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]cyclopentyl]acetate CAS Name: 2-[1-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]cyclopentyl]acetate IUPAC Name: 2-[1-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]cyclopentyl]acetate Traditional Name: 2-[1-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]cyclopentyl]acetate Formula: C21H30N2O3 MolecularWeight: 358.4745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

C1CCC(C1)(CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C21H30N2O3/c24-19(14-21(15-20(25)26)10-4-5-11-21)22-18-8-12-23(13-9-18)16-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2,(H,22,24)(H,25,26)