carbamimidoyl-cyano-(3,3-dimethylbutan-2-yl)-pyridin-4-yl-azanium hydrate

Systemtic Name: carbamimidoyl-cyano-(3,3-dimethylbutan-2-yl)-pyridin-4-yl-azanium hydrate Openeye Name: carbamimidoyl-cyano-(4-pyridyl)-(1,2,2-trimethylpropyl)ammonium hydrate CAS Name: carbamimidoyl-cyano-(3,3-dimethylbutan-2-yl)-pyridin-4-ylammonium hydrate IUPAC Name: carbamimidoyl-cyano-(3,3-dimethylbutan-2-yl)-pyridin-4-ylazanium hydrate Traditional Name: amidino-cyano-(4-pyridyl)-(1,2,2-trimethylpropyl)ammonium hydrate Formula: C13H22N5O+ MolecularWeight: 264.34668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)[N+](C#N)(C1=CC=NC=C1)C(=N)N.O

Isomeric SMILES

CC(C(C)(C)C)[N+](C#N)(C1=CC=NC=C1)C(=N)N.O

InChI

InChI=1S/C13H20N5.H2O/c1-10(13(2,3)4)18(9-14,12(15)16)11-5-7-17-8-6-11;/h5-8,10H,1-4H3,(H3,15,16);1H2/q+1;