N-[3-[3-[[bis(prop-2-enyl)amino]methyl]phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-[3-[[bis(prop-2-enyl)amino]methyl]phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[3-[(diallylamino)methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-[3-[[bis(prop-2-enyl)amino]methyl]phenoxy]propyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[3-[[bis(prop-2-enyl)amino]methyl]phenoxy]propyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-[3-[(diallylamino)methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)CC1=CC(=CC=C1)OCCCNC(=O)C2=C[N+](=CC=C2)[O-]

Isomeric SMILES

C=CCN(CC=C)CC1=CC(=CC=C1)OCCCNC(=O)C2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C22H27N3O3/c1-3-12-24(13-4-2)17-19-8-5-10-21(16-19)28-15-7-11-23-22(26)20-9-6-14-25(27)18-20/h3-6,8-10,14,16,18H,1-2,7,11-13,15,17H2,(H,23,26)