5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentyl-(1-ethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: 5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentyl-(1-ethylpiperidin-1-ium-4-yl)azanium Openeye Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-(1-ethylpiperidin-1-ium-4-yl)ammonium CAS Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-(1-ethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-(1-ethylpiperidin-1-ium-4-yl)azanium Traditional Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-(1-ethylpiperidin-1-ium-4-yl)ammonium Formula: C16H30N6+2 MolecularWeight: 306.4496

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH2+]CCCCCC2=C(C(=NN2)N)C#N

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH2+]CCCCCC2=C(C(=NN2)N)C#N

InChI

InChI=1S/C16H28N6/c1-2-22-10-7-13(8-11-22)19-9-5-3-4-6-15-14(12-17)16(18)21-20-15/h13,19H,2-11H2,1H3,(H3,18,20,21)/p+2