[5-azanyl-3-[(phenylmethyl)amino]-1,2,3-oxadiazol-3-ium-4-yl]-phenyl-methanone

Systemtic Name: [5-azanyl-3-[(phenylmethyl)amino]-1,2,3-oxadiazol-3-ium-4-yl]-phenyl-methanone Openeye Name: [5-amino-3-(benzylamino)oxadiazol-3-ium-4-yl]-phenyl-methanone CAS Name: [5-amino-3-[(phenylmethyl)amino]-4-oxadiazol-3-iumyl]-phenylmethanone IUPAC Name: [5-amino-3-(benzylamino)oxadiazol-3-ium-4-yl]-phenylmethanone Traditional Name: [5-amino-3-(benzylamino)oxadiazol-3-ium-4-yl]-phenyl-methanone Formula: C16H15N4O2+ MolecularWeight: 295.3159

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN[N+]2=NOC(=C2C(=O)C3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CN[N+]2=NOC(=C2C(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C16H14N4O2/c17-16-14(15(21)13-9-5-2-6-10-13)20(19-22-16)18-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2-,17,18,19,21)/p+1