1-(4-bromanyl-1,2-dimethyl-5-piperidin-1-ium-1-ylidene-pyrazol-3-yl)piperidine

Systemtic Name: 1-(4-bromanyl-1,2-dimethyl-5-piperidin-1-ium-1-ylidene-pyrazol-3-yl)piperidine Openeye Name: 1-(4-bromo-1,2-dimethyl-5-piperidin-1-ium-1-ylidene-pyrazol-3-yl)piperidine CAS Name: 1-[4-bromo-1,2-dimethyl-5-(1-piperidin-1-iumylidene)-3-pyrazolyl]piperidine IUPAC Name: 1-(4-bromo-1,2-dimethyl-5-piperidin-1-ium-1-ylidenepyrazol-3-yl)piperidine Traditional Name: 1-(4-bromo-1,2-dimethyl-5-piperidin-1-ium-1-ylidene-3-pyrazolin-3-yl)piperidine Formula: C15H26BrN4+ MolecularWeight: 342.29774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=[N+]2CCCCC2)N1C)Br)N3CCCCC3

Isomeric SMILES

CN1C(=C(C(=[N+]2CCCCC2)N1C)Br)N3CCCCC3

InChI

InChI=1S/C15H26BrN4/c1-17-14(19-9-5-3-6-10-19)13(16)15(18(17)2)20-11-7-4-8-12-20/h3-12H2,1-2H3/q+1