2-cyano-3-(1,2,4-triazol-1-yl)propanoate; dicyclohexylazanium

Systemtic Name: 2-cyano-3-(1,2,4-triazol-1-yl)propanoate; dicyclohexylazanium Openeye Name: 2-cyano-3-(1,2,4-triazol-1-yl)propanoate; dicyclohexylammonium CAS Name: 2-cyano-3-(1,2,4-triazol-1-yl)propanoate; dicyclohexylammonium IUPAC Name: 2-cyano-3-(1,2,4-triazol-1-yl)propanoate; dicyclohexylazanium Traditional Name: 2-cyano-3-(1,2,4-triazol-1-yl)propionate; dicyclohexylammonium Formula: C18H29N5O2 MolecularWeight: 347.45516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C2CCCCC2.C1=NN(C=N1)CC(C#N)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH2+]C2CCCCC2.C1=NN(C=N1)CC(C#N)C(=O)[O-]

InChI

InChI=1S/C12H23N.C6H6N4O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-1-5(6(11)12)2-10-4-8-3-9-10/h11-13H,1-10H2;3-5H,2H2,(H,11,12)