N-methyl-3-(4-oxidanylpyrrolo[3,2-b]pyridin-4-ium-1-yl)-3-phenyl-propan-1-amine

Systemtic Name: N-methyl-3-(4-oxidanylpyrrolo[3,2-b]pyridin-4-ium-1-yl)-3-phenyl-propan-1-amine Openeye Name: 3-(4-hydroxypyrrolo[3,2-b]pyridin-4-ium-1-yl)-N-methyl-3-phenyl-propan-1-amine CAS Name: 3-(4-hydroxy-1-pyrrolo[3,2-b]pyridin-4-iumyl)-N-methyl-3-phenyl-1-propanamine IUPAC Name: 3-(4-hydroxypyrrolo[3,2-b]pyridin-4-ium-1-yl)-N-methyl-3-phenylpropan-1-amine Traditional Name: [3-(4-hydroxypyrrolo[3,2-b]pyridin-4-ium-1-yl)-3-phenyl-propyl]-methyl-amine Formula: C17H20N3O+ MolecularWeight: 282.3602

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CC=C1)N2C=CC3=C2C=CC=[N+]3O

Isomeric SMILES

CNCCC(C1=CC=CC=C1)N2C=CC3=C2C=CC=[N+]3O

InChI

InChI=1S/C17H20N3O/c1-18-11-9-15(14-6-3-2-4-7-14)19-13-10-17-16(19)8-5-12-20(17)21/h2-8,10,12-13,15,18,21H,9,11H2,1H3/q+1