[2-(dimethylamino)pyridin-1-ium-3-yl]methyl-[(3-phenoxyphenyl)methyl]azanium

Systemtic Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-[(3-phenoxyphenyl)methyl]azanium Openeye Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-[(3-phenoxyphenyl)methyl]ammonium CAS Name: [2-(dimethylamino)-3-pyridin-1-iumyl]methyl-[(3-phenoxyphenyl)methyl]ammonium IUPAC Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-[(3-phenoxyphenyl)methyl]azanium Traditional Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-(3-phenoxybenzyl)ammonium Formula: C21H25N3O+2 MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)C[NH2+]CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)C[NH2+]CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O/c1-24(2)21-18(9-7-13-23-21)16-22-15-17-8-6-12-20(14-17)25-19-10-4-3-5-11-19/h3-14,22H,15-16H2,1-2H3/p+2