N'-(carboxymethyl)-N-[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamimidate

Systemtic Name: N'-(carboxymethyl)-N-[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamimidate Openeye Name: N'-(carboxymethyl)-N-[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]carbamimidate CAS Name: N'-(carboxymethyl)-N-[3-(1-phenylpropan-2-yl)-5-oxadiazol-3-iumyl]carbamimidate IUPAC Name: N'-(carboxymethyl)-N-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamimidate Traditional Name: N'-(carboxymethyl)-N-[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]carbamimidate Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=NCC(=O)O)[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=NCC(=O)O)[O-]

InChI

InChI=1S/C14H16N4O4/c1-10(7-11-5-3-2-4-6-11)18-9-12(22-17-18)16-14(21)15-8-13(19)20/h2-6,9-10H,7-8H2,1H3,(H2-,15,16,17,19,20,21)