N',N'-diethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethane-1,2-diamine

Systemtic Name: N',N'-diethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethane-1,2-diamine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-N',N'-diethyl-ethane-1,2-diamine CAS Name: N',N'-diethyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]ethane-1,2-diamine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-N',N'-diethylethane-1,2-diamine Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)amino]ethyl-diethyl-amine Formula: C18H32N3+ MolecularWeight: 290.46678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCN(CC)CCNC1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H31N3/c1-3-20(4-2)15-12-19-18-10-13-21(14-11-18)16-17-8-6-5-7-9-17/h5-9,18-19H,3-4,10-16H2,1-2H3/p+1