(4-ethoxy-3-methoxy-phenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-(3-pyrrolidin-1-ium-1-ylpropyl)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+]CCC[NH+]2CCCC2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]CCC[NH+]2CCCC2)OC

InChI

InChI=1S/C17H28N2O2/c1-3-21-16-8-7-15(13-17(16)20-2)14-18-9-6-12-19-10-4-5-11-19/h7-8,13,18H,3-6,9-12,14H2,1-2H3/p+2