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

Systemtic Name: (4-butoxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: (4-butoxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: (4-butoxyphenyl)methyl-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: (4-butoxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: (4-butoxybenzyl)-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C18H32N2O+2 MolecularWeight: 292.45948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCCC2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCCC2

InChI

InChI=1S/C18H30N2O/c1-2-3-15-21-18-9-7-17(8-10-18)16-19-11-6-14-20-12-4-5-13-20/h7-10,19H,2-6,11-16H2,1H3/p+2