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

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-N',N'-diisopropyl-ethane-1,2-diamine CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)amino]ethyl-diisopropyl-amine Formula: C20H36N3+ MolecularWeight: 318.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3/c1-17(2)23(18(3)4)15-12-21-20-10-13-22(14-11-20)16-19-8-6-5-7-9-19/h5-9,17-18,20-21H,10-16H2,1-4H3/p+1