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N-[3-[3-(butylaminomethyl)phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

N-[3-[3-(butylaminomethyl)phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name:N-[3-[3-(butylaminomethyl)phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide
Openeye Name:N-[3-[3-(butylaminomethyl)phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide
CAS Name:N-[3-[3-(butylaminomethyl)phenoxy]propyl]-1-oxido-3-pyridin-1-iumcarboxamide
IUPAC Name:N-[3-[3-(butylaminomethyl)phenoxy]propyl]-1-oxidopyridin-1-ium-3-carboxamide
Traditional Name:N-[3-[3-(butylaminomethyl)phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide
Formula: C20H27N3O3
MolecularWeight: 357.44668
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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC(=CC=C1)OCCCNC(=O)C2=C[N+](=CC=C2)[O-]


Isomeric SMILES

CCCCNCC1=CC(=CC=C1)OCCCNC(=O)C2=C[N+](=CC=C2)[O-]


InChI

InChI=1S/C20H27N3O3/c1-2-3-10-21-15-17-7-4-9-19(14-17)26-13-6-11-22-20(24)18-8-5-12-23(25)16-18/h4-5,7-9,12,14,16,21H,2-3,6,10-11,13,15H2,1H3,(H,22,24)


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