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

Systemtic Name: 1-(4-bromanyl-1,2-dimethyl-5-piperidin-1-ium-1-ylidene-pyrazol-3-yl)piperidine perchlorate Openeye Name: 1-(4-bromo-1,2-dimethyl-5-piperidin-1-ium-1-ylidene-pyrazol-3-yl)piperidine perchlorate CAS Name: 1-[4-bromo-1,2-dimethyl-5-(1-piperidin-1-iumylidene)-3-pyrazolyl]piperidine perchlorate IUPAC Name: 1-(4-bromo-1,2-dimethyl-5-piperidin-1-ium-1-ylidenepyrazol-3-yl)piperidine perchlorate Traditional Name: 1-(4-bromo-1,2-dimethyl-5-piperidin-1-ium-1-ylidene-3-pyrazolin-3-yl)piperidine perchlorate Formula: C15H26BrClN4O4 MolecularWeight: 441.74834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=[N+]2CCCCC2)N1C)Br)N3CCCCC3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN1C(=C(C(=[N+]2CCCCC2)N1C)Br)N3CCCCC3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C15H26BrN4.ClHO4/c1-17-14(19-9-5-3-6-10-19)13(16)15(18(17)2)20-11-7-4-8-12-20;2-1(3,4)5/h3-12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1