[3-(3-pyridin-4-ylpropoxymethyl)phenyl]methylazanium

Systemtic Name: [3-(3-pyridin-4-ylpropoxymethyl)phenyl]methylazanium Openeye Name: [3-[3-(4-pyridyl)propoxymethyl]phenyl]methylammonium CAS Name: [3-(3-pyridin-4-ylpropoxymethyl)phenyl]methylammonium IUPAC Name: [3-(3-pyridin-4-ylpropoxymethyl)phenyl]methylazanium Traditional Name: [3-[3-(4-pyridyl)propoxymethyl]benzyl]ammonium Formula: C16H21N2O+ MolecularWeight: 257.35074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COCCCC2=CC=NC=C2)C[NH3+]

Isomeric SMILES

C1=CC(=CC(=C1)COCCCC2=CC=NC=C2)C[NH3+]

InChI

InChI=1S/C16H20N2O/c17-12-15-3-1-4-16(11-15)13-19-10-2-5-14-6-8-18-9-7-14/h1,3-4,6-9,11H,2,5,10,12-13,17H2/p+1