(3,4-diethoxyphenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: (3,4-diethoxyphenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: (3,4-diethoxyphenyl)methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: (3,4-diethoxyphenyl)methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: (3,4-diethoxyphenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: (3,4-diethoxybenzyl)-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]CC2CC[NH2+]CC2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]CC2CC[NH2+]CC2)OCC

InChI

InChI=1S/C17H28N2O2/c1-3-20-16-6-5-15(11-17(16)21-4-2)13-19-12-14-7-9-18-10-8-14/h5-6,11,14,18-19H,3-4,7-10,12-13H2,1-2H3/p+2