N-[(3-bromanyl-4-propoxy-phenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: N-[(3-bromanyl-4-propoxy-phenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-[(3-bromo-4-propoxy-phenyl)methyl]pyridin-1-ium-2-amine CAS Name: N-[(3-bromo-4-propoxyphenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: N-[(3-bromo-4-propoxyphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: (3-bromo-4-propoxy-benzyl)-pyridin-1-ium-2-yl-amine Formula: C15H18BrN2O+ MolecularWeight: 322.22022

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNC2=CC=CC=[NH+]2)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNC2=CC=CC=[NH+]2)Br

InChI

InChI=1S/C15H17BrN2O/c1-2-9-19-14-7-6-12(10-13(14)16)11-18-15-5-3-4-8-17-15/h3-8,10H,2,9,11H2,1H3,(H,17,18)/p+1