octadecanoate; 1-(phenylmethyl)-4-piperidin-1-yl-pyridin-1-ium

Systemtic Name: octadecanoate; 1-(phenylmethyl)-4-piperidin-1-yl-pyridin-1-ium Openeye Name: 1-benzyl-4-(1-piperidyl)pyridin-1-ium; octadecanoate CAS Name: octadecanoate; 1-(phenylmethyl)-4-(1-piperidinyl)pyridin-1-ium IUPAC Name: 1-benzyl-4-piperidin-1-ylpyridin-1-ium; octadecanoate Traditional Name: 1-benzyl-4-piperidino-pyridin-1-ium; stearate Formula: C35H56N2O2 MolecularWeight: 536.83134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].C1CCN(CC1)C2=CC=[N+](C=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].C1CCN(CC1)C2=CC=[N+](C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H36O2.C17H21N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-7-16(8-4-1)15-18-13-9-17(10-14-18)19-11-5-2-6-12-19/h2-17H2,1H3,(H,19,20);1,3-4,7-10,13-14H,2,5-6,11-12,15H2/q;+1/p-1