(3-ethoxy-4-prop-2-enoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: (3-ethoxy-4-prop-2-enoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: (4-allyloxy-3-ethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: (3-ethoxy-4-prop-2-enoxyphenyl)methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: (3-ethoxy-4-prop-2-enoxyphenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: (4-allyloxy-3-ethoxy-benzyl)-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C18H30N2O2+2 MolecularWeight: 306.443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2/c1-3-11-22-17-6-5-16(12-18(17)21-4-2)14-20-13-15-7-9-19-10-8-15/h3,5-6,12,15,19-20H,1,4,7-11,13-14H2,2H3/p+2