N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-amine

Systemtic Name: N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-amine Openeye Name: N-(isoxazol-3-ylmethyl)-N-methyl-5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-amine CAS Name: N-(3-isoxazolylmethyl)-N-methyl-5-(3-phenethyl-1,2,4-oxadiazol-5-yl)-2-pyridin-1-iumamine IUPAC Name: N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-amine Traditional Name: isoxazol-3-ylmethyl-methyl-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]amine Formula: C20H20N5O2+ MolecularWeight: 362.4051

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NOC=C1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4

Isomeric SMILES

CN(CC1=NOC=C1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O2/c1-25(14-17-11-12-26-23-17)19-10-8-16(13-21-19)20-22-18(24-27-20)9-7-15-5-3-2-4-6-15/h2-6,8,10-13H,7,9,14H2,1H3/p+1