1-[4-[2-(diphenylmethyl)oxyethoxy]-4-methyl-pent-2-ynyl]-4-(phenylmethyl)piperidin-1-ium

Systemtic Name: 1-[4-[2-(diphenylmethyl)oxyethoxy]-4-methyl-pent-2-ynyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 1-[4-(2-benzhydryloxyethoxy)-4-methyl-pent-2-ynyl]-4-benzyl-piperidin-1-ium CAS Name: 1-[4-[2-(diphenylmethyl)oxyethoxy]-4-methylpent-2-ynyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 1-[4-(2-benzhydryloxyethoxy)-4-methylpent-2-ynyl]-4-benzylpiperidin-1-ium Traditional Name: 1-[4-(2-benzhydryloxyethoxy)-4-methyl-pent-2-ynyl]-4-benzyl-piperidin-1-ium Formula: C33H40NO2+ MolecularWeight: 482.6762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC[NH+]1CCC(CC1)CC2=CC=CC=C2)OCCOC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C#CC[NH+]1CCC(CC1)CC2=CC=CC=C2)OCCOC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H39NO2/c1-33(2,21-12-22-34-23-19-29(20-24-34)27-28-13-6-3-7-14-28)36-26-25-35-32(30-15-8-4-9-16-30)31-17-10-5-11-18-31/h3-11,13-18,29,32H,19-20,22-27H2,1-2H3/p+1