3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: 3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-(1-benzylpiperidin-1-ium-4-yl)ammonium CAS Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-(1-benzylpiperidin-1-ium-4-yl)azanium Traditional Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-(1-benzylpiperidin-1-ium-4-yl)ammonium Formula: C19H28N6+2 MolecularWeight: 340.46582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CCCC2=C(C(=NN2)N)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CCCC2=C(C(=NN2)N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C19H26N6/c20-13-17-18(23-24-19(17)21)7-4-10-22-16-8-11-25(12-9-16)14-15-5-2-1-3-6-15/h1-3,5-6,16,22H,4,7-12,14H2,(H3,21,23,24)/p+2