N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]octanamide

Systemtic Name: N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]octanamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]octanamide CAS Name: N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]octanamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]octanamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]caprylamide Formula: C20H32N3O+ MolecularWeight: 330.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NN=C1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NN=C1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C20H31N3O/c1-2-3-4-5-9-12-20(24)22-21-19-13-15-23(16-14-19)17-18-10-7-6-8-11-18/h6-8,10-11H,2-5,9,12-17H2,1H3,(H,22,24)/p+1