N-methyl-N-[(3-methylpyridin-4-yl)methyl]-5-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-amine

Systemtic Name: N-methyl-N-[(3-methylpyridin-4-yl)methyl]-5-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-amine Openeye Name: 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-methyl-4-pyridyl)methyl]pyridin-1-ium-2-amine CAS Name: N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-5-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-1-iumamine IUPAC Name: 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-methylpyridin-4-yl)methyl]pyridin-1-ium-2-amine Traditional Name: [5-(3-benzyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-methyl-[(3-methyl-4-pyridyl)methyl]amine Formula: C22H22N5O+ MolecularWeight: 372.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)CN(C)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CN=C1)CN(C)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O/c1-16-13-23-11-10-19(16)15-27(2)21-9-8-18(14-24-21)22-25-20(26-28-22)12-17-6-4-3-5-7-17/h3-11,13-14H,12,15H2,1-2H3/p+1