1-[1-(phenylmethyl)piperidin-1-ium-4-yl]azepan-1-ium

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)azepan-1-ium CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)azepan-1-ium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)azepan-1-ium Formula: C18H30N2+2 MolecularWeight: 274.4442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H28N2/c1-2-7-13-20(12-6-1)18-10-14-19(15-11-18)16-17-8-4-3-5-9-17/h3-5,8-9,18H,1-2,6-7,10-16H2/p+2