2,2-diphenylethyl-(1-ethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: 2,2-diphenylethyl-(1-ethylpiperidin-1-ium-4-yl)azanium Openeye Name: 2,2-diphenylethyl-(1-ethylpiperidin-1-ium-4-yl)ammonium CAS Name: 2,2-diphenylethyl-(1-ethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: 2,2-diphenylethyl-(1-ethylpiperidin-1-ium-4-yl)azanium Traditional Name: 2,2-diphenylethyl-(1-ethylpiperidin-1-ium-4-yl)ammonium Formula: C21H30N2+2 MolecularWeight: 310.4763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH2+]CC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH2+]CC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2/c1-2-23-15-13-20(14-16-23)22-17-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-22H,2,13-17H2,1H3/p+2