4-pyrrolidin-1-ium-1-yl-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium

Systemtic Name: 4-pyrrolidin-1-ium-1-yl-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium Openeye Name: 4-pyrrolidin-1-ium-1-yl-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium CAS Name: 4-(1-pyrrolidin-1-iumyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium IUPAC Name: 4-pyrrolidin-1-ium-1-yl-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium Traditional Name: 4-pyrrolidin-1-ium-1-yl-1-(3,4,5-trimethoxybenzyl)piperidin-1-ium Formula: C19H32N2O3+2 MolecularWeight: 336.46898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)[NH+]3CCCC3

InChI

InChI=1S/C19H30N2O3/c1-22-17-12-15(13-18(23-2)19(17)24-3)14-20-10-6-16(7-11-20)21-8-4-5-9-21/h12-13,16H,4-11,14H2,1-3H3/p+2