2-[(3Z)-3-ethylidene-1-methyl-piperidin-1-ium-1-yl]-2-(3-methyl-1H-indol-2-yl)propane-1,3-diol

Systemtic Name: 2-[(3Z)-3-ethylidene-1-methyl-piperidin-1-ium-1-yl]-2-(3-methyl-1H-indol-2-yl)propane-1,3-diol Openeye Name: 2-[(3Z)-3-ethylidene-1-methyl-piperidin-1-ium-1-yl]-2-(3-methyl-1H-indol-2-yl)propane-1,3-diol CAS Name: 2-[(3Z)-3-ethylidene-1-methyl-1-piperidin-1-iumyl]-2-(3-methyl-1H-indol-2-yl)propane-1,3-diol IUPAC Name: 2-[(3Z)-3-ethylidene-1-methylpiperidin-1-ium-1-yl]-2-(3-methyl-1H-indol-2-yl)propane-1,3-diol Traditional Name: 2-[(3Z)-3-ethylidene-1-methyl-piperidin-1-ium-1-yl]-2-(3-methyl-1H-indol-2-yl)propane-1,3-diol Formula: C20H29N2O2+ MolecularWeight: 329.45646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C1CCC[N+](C1)(C)C(CO)(CO)C2=C(C3=CC=CC=C3N2)C

Isomeric SMILES

C/C=C\1/CCC[N+](C1)(C)C(CO)(CO)C2=C(C3=CC=CC=C3N2)C

InChI

InChI=1S/C20H29N2O2/c1-4-16-8-7-11-22(3,12-16)20(13-23,14-24)19-15(2)17-9-5-6-10-18(17)21-19/h4-6,9-10,21,23-24H,7-8,11-14H2,1-3H3/q+1/b16-4-