(2E)-2-ethylidene-1-(2-phenoxyethyl)-1-(phenylmethyl)piperidin-1-ium; methanamine

Systemtic Name: (2E)-2-ethylidene-1-(2-phenoxyethyl)-1-(phenylmethyl)piperidin-1-ium; methanamine Openeye Name: (2E)-1-benzyl-2-ethylidene-1-(2-phenoxyethyl)piperidin-1-ium; methanamine CAS Name: (2E)-2-ethylidene-1-(2-phenoxyethyl)-1-(phenylmethyl)piperidin-1-ium; methanamine IUPAC Name: (2E)-1-benzyl-2-ethylidene-1-(2-phenoxyethyl)piperidin-1-ium; methanamine Traditional Name: (2E)-1-benzyl-2-ethylidene-1-(2-phenoxyethyl)piperidin-1-ium; methylamine Formula: C23H33N2O+ MolecularWeight: 353.52092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C1CCCC[N+]1(CCOC2=CC=CC=C2)CC3=CC=CC=C3.CN

Isomeric SMILES

C/C=C/1\CCCC[N+]1(CCOC2=CC=CC=C2)CC3=CC=CC=C3.CN

InChI

InChI=1S/C22H28NO.CH5N/c1-2-21-13-9-10-16-23(21,19-20-11-5-3-6-12-20)17-18-24-22-14-7-4-8-15-22;1-2/h2-8,11-12,14-15H,9-10,13,16-19H2,1H3;2H2,1H3/q+1;/b21-2+;