(4-propoxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: (4-propoxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: (4-propoxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: (4-propoxyphenyl)methyl-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: (4-propoxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: (4-propoxybenzyl)-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCCC2

Isomeric SMILES

CCCOC1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCCC2

InChI

InChI=1S/C17H28N2O/c1-2-14-20-17-8-6-16(7-9-17)15-18-10-5-13-19-11-3-4-12-19/h6-9,18H,2-5,10-15H2,1H3/p+2