piperidin-1-ium-4-ylmethyl-[(2,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: piperidin-1-ium-4-ylmethyl-[(2,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: piperidin-1-ium-4-ylmethyl-[(2,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: 4-piperidin-1-iumylmethyl-[(2,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: piperidin-1-ium-4-ylmethyl-[(2,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: piperidin-1-ium-4-ylmethyl-(2,4,5-trimethoxybenzyl)ammonium Formula: C16H28N2O3+2 MolecularWeight: 296.40512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH2+]CC2CC[NH2+]CC2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH2+]CC2CC[NH2+]CC2)OC)OC

InChI

InChI=1S/C16H26N2O3/c1-19-14-9-16(21-3)15(20-2)8-13(14)11-18-10-12-4-6-17-7-5-12/h8-9,12,17-18H,4-7,10-11H2,1-3H3/p+2