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

Systemtic Name: 5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-(1-benzylpiperidin-1-ium-4-yl)ammonium CAS Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-(1-benzylpiperidin-1-ium-4-yl)azanium Traditional Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-(1-benzylpiperidin-1-ium-4-yl)ammonium Formula: C21H32N6+2 MolecularWeight: 368.51898

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CCCCCC2=C(C(=NN2)N)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CCCCCC2=C(C(=NN2)N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N6/c22-15-19-20(25-26-21(19)23)9-5-2-6-12-24-18-10-13-27(14-11-18)16-17-7-3-1-4-8-17/h1,3-4,7-8,18,24H,2,5-6,9-14,16H2,(H3,23,25,26)/p+2